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OLI/ESP & Engine Release Notes

The current release notes for the OLI ESP & Engine software. The latest release has included all fixes in the earlier release notes. This is the main numerical solver for the OLI Software

 


Return to Support Center Last Updated November 2, 2017

Notes
Build Number Release Status Description Date
mm.dd.yyyy
9.5.4 General Release

General

  • Bugs resolved for this version = 07
  • The database was updated for this version. See the release notes:

October 09, 2017

Bug ID OLI Case AREA Description Reported by Resolved by
4092 14911 Engine

This is a survey in HCl with very, very small amounts.  At some point the solver fails to converge but converges a higher value point.  The initializer seems unstable

Updated phase inclusion/exclusion check in the alternate algorithm.

User (New Jersey, USA) PK
4714   Engine FEATURE: Total dissolved solids calculation for water analysis will be updated as per ASTM D5907-03 method.  OLI PK
4443 15529 API

I have another question regarding the OLI Engine Developer Edition. I am trying to display Keq values from the OLI calculation in the Excel sheet. I can understand most of the Visual Basic code in the Excel32bitEngineAPISample file that come with the developer edition and made modifications to it. So far I am able to populate the components for Kvalues in Excel, but the Kvalues displayed from the result stream are all zeros. It is possible that I made some error in the code, but I would like to know:

(1) if the developer edition support calculation of Kvalues. I would assume yes since there is a variable defined as OLIKValues = 8 in the OLIEngineAPI.
(2) if the function OLISolveIsothermal from "OLIEngineAPI.dll" library computes Kvalues. Or is there another function from the library that computes the Kvalues.
I am currently using Developer Edition 9.1

Added support for KValues

User (US) CD
4583 15926 Engine

Second liquid phase missing for a specific water flow-rate in flue gas quenching.

Updated adiabatic temperature calculation at the initializer.

User (Japan) PKK
4658 15069 Engine

Unconverged isochor case, wild pressures calculated

Calculated new estimates at the initializer and updated convergence algorithm for isochoric cases.

User (New Jersey, USA) PK
4716   Engine

Pure component dew point estimate fails for MSE, however, running a survey shows the Phase transition and dewpoint. AQ model may fail, however, there was a crash found while running.

Updated the minimum temperature the solver can reach to find a solution to
50 K.

OLI PK
4755 16356 Engine

In this case a gas object fails to converge when using H2O saturate option. I think this is an initializer issue. See the object (Use this).

I simulated the H2O saturate by running an H2O composition survey. With Restart=OFF there are many all vapor points which is probably unrealistic with the moderately heavy hydrocarbons.

With Restart=ON the plot is much more realistic

Two separate issues have been fixed:
1) Phase checks have been added for gas stream saturate with water.
2) Re-initializing after variables are bounded.

User (United Kingdom) PK
           
9.5.3 General Release

General

  • Bugs resolved for this version = 02
  • The database was updated for this version. See the release notes:
  • The AQ framwork Surface Complex Databases listed below have been removed from the installation, they are available upon request:
    • SCCCM (Capacitance Model)
    • SCNEM (Electrostatic Model)
    • SCTLM (Triple Layer Model)

July 11, 2017

Bug ID OLI Case AREA Description Reported by Resolved by
4217   Generate

Generator accepts duplicate species pair eg. (A-B, B-A) as independent records for UNIQUAC.

Previously the generator looked for unique species interactions when iterating through databanks in a way such that A-B and B-A were the same.
Now, this is considered a duplicate entry and an error are thrown.

OLI AR
4473   Engine

CH4-Pseudo UNIQ and SRK interaction, H2S-Pseudo Uniq Interaction needed to be added after high pressure project has completed.

1. Modified correlation for CH4-Pseudo UNIQ interaction.
2. Added new correlation for H2S-Pseudo UNIQ interaction.
3. Removed existing correlation for CH4-Pseudo PR-UNIQ interaction.
4. Revised existing correlation for CH4-Pseudo SRK KIJ parameter.

OLI PK
           
9.5.2 General Release

General

  • Bugs resolved for this version = 18
  • Versions 9.3.3 to 9.5.1 were not released to the public.
  • Databanks were not updated for this version.

January 19, 2017

Bug ID OLI Case AREA Description Reported by Resolved by
3855 14492 DynaChem

A case has an inert solid. After the first time increment all the solid in the pipe seems to vanish and does not appear in any downstream node.

What makes this case species is that it is MSE and is primarily Vapor/Solid equilibrium.  An analogous case in OLI Flowsheet: ESP seems to work correctly.

For a sublimation system, the the solver (alternate sublimation solver) does not take Inert solids(solids with no K-equation) into account, basically they are ignored. This was fixed by adding it to the final solution array indirectly, this allows the inert solids heat properties to be calculated.

User (US) AR
3581   Engine/Solver

Mellapak structured packing will be added for mass transfer column.

Mellapak structured packing 250Y & 452Y have been added.

OLI PK
4053   Alliance Products

During testing 9.3.2 I found that a file opened from previous version of HYSYS does not work properly in the newer build that its opened in. If I go to input and change the temperature for the stream, I see Gibbs minimization error in the summary window. .hsc file is attached.

Problem happens with clients having FULLACCESS security in Hysys, Security is initialzied during DBS generation but uninitialized during problem run, causing the engine to read CONFUSED values for some parameters. This is fixed by initializing security correctly

OLI AR
4065 14875 Engine/Solver

A user initially reported that the dielectric constant for organics in the 2nd liquid phase was too large.  Further investigation revealed that it was the pseudocomponents that were too larger and not individual organics.

When orginally developed, the parameters for dielectric constant last year, the heaviest n-alkane that had experimental data available in literature is C17. No regression has been done for n-alkane above 17.

For C19 and C22, the DIE0 is a constant. That is the reason why DEC reported is 82 for anything greater than C22.  In addition to n-alkane regressions have been made for other hydrocarbons.

Since there is no experimental data for higher n-alkane, I think that we may obtain a correlation from alkane up to C17. This correlation will be used to estimate DE for pseudocomponents and alkanes above 17.

Fixed by new code by modifying organic phase dielectric constant routine.

User (Australia) ODT, AR
4086 14937 Databook

Ron Springer (OLI) pointed out that there is a difference in the databook evaluation tool for the CP(T) evaluation action since version 9.2.8. We used CO2 as the test component and CP(T) in the vapor phase.We confirmed that the coefficients are the same between v9.2.8 and 9.3.2.

The displayed equation in v9.2.8 is:
Y=A+B*T+C/T**2+D*T**3+E*T**3

This is designated as equation type E003. An offline calculation at T=300 K is 37.2 J/moleK. The v9.2.8 evaluation action calculates at 300 K 37.2 J/moleK.

In v9.3.2 the displayed equation is considerably different.
Y=A+B*T+C*T**2+D*T**3+E*T**4

The evaluated CP(T) value at 300 K is -1.52E+10 J/moleK.  This cannot be correct. Internally the equation is set to E003 but appears to actually E100.

OLI fixed the following equation types and their evaluation:
E003: CP for Vapor and Solids
E100: CP for Aqueous
E107: KFIT equation to show Pressure terms in equation (New Addition)

OLI RDY, PK
4103 14975 ESP/Flowsheet

While investigating a users case containing component splitters we noticed that while the outlet fractions are specified for the CSPLIT blocks, the outlet stream and the residual stream can contain random numeric values for pressure. If you 0 the pressure out in the outlet stream it gets replaced by a random number.

Outlet pressure is set to minimum inlet pressure if not specified or 0.0.

User (US) PK
4121   Engine/Solver

If the Alkalinity calculation fails then the engine populates the error vector making studio fail the calculation.

Cleared the Alkalinity calculation equilibrium convergence error and replaced with warning.

OLI AR
4164   Engine/Solver

Transport property data pertaining to Viscosity and Electrical Conductivity for NH3 systems must be treated specially. For the calculation of Electrical conductivity, a file named named limcon.dat (limiting conductivity data) is used. But for systems containing NH3, Species-Solvent data between OHION-NH4OHAQ and NH4ION-NH4OHAQ should be ignored while calculating electrical conductivity.

This is fix that allows systems containing NH4OHAQ species to be used as TRANSPORT property solvent only for electrical conductivity calculations.
It will be actively ignored for any other property calculation

OLI AR
4170   Engine

ORP fluctuates when the same calculation is run multiple times with no reasonable change in input and RESTART = ON. No change observed when RESTART = OFF

The ORP is a sensitive calculation that depends on the dissolved H2 in the solution. In this particular case when Restart is turned on, the guess values for this is < 1e-30, causing the convergence to change slightly with each run. The problem is eliminated with restart=OFF.

OLI AR
4177 15088 Alliance Products (Unisim Design)

R440 with OLI 9.3.2 - Crash when taken out of holding. Case has Hypotheticals (pseudo components) with nams longer than 11 characters.

Unisim and Aspen Hysys pseudo component names must meet OLI standards. The name must not be longer than 11 characters and variable naming standard has been enforced.

Partner AR
4198 15114 ESP Original

ESP displayed Flowsheet shows multiple streams with the same number

Data was truncated due to a formatting issue. Corrected the format.

Agent (Japan) PK
4200   Engine

Pseudo-H2S-Uniq interaction will be added.
Pseudo-CH4 Uniq & SRK interactions will be corrected.

New Addition: Pseudo and H2S Uniq interactions.

Updated: Pseudo and Ch4 Uniq and SRK interactions.

Removed: Pseudo and Ch4 PR-Uniq interactions.

OLI PK
4201   Engine

Pseudo SRK interaction data are truncated in A10 file, Shows only KIJ0 and GIJ. KIJ1 & KIJ2 are truncated.

It was printing only only KIJ0 and GIJ. Updated to print all four KIJ0, GIJ, KIJ1, KIJ2.

OLI PK
4212   Engine

Generator warnings don't reflect the cut names associated with and are truncated.

Added Assay name and cut information to the end of the error messages.
Messages have been correctly filtered into WARNINGS and ERRORS, they also correctly display in the .wrn file

OLI AR
4257   Engine

Controller for separator block will be added.

added ability to use controller on a separator block

OLI RDY
4276   Engine

Crash in the mass transfer column.

Data formatting issues have been corrected to prevent the crash.

OLI PK
4279   Engine

Add ability to suppress error messages when using the API. This is so programs that use the API when run in a script do not show error messages.

Added new OLIInitEx which takes an error mode to supress error messages also added new OLIGetLastError to get the last error message.

OLI CD
4280   Engine

FEATURE: Add support to retrieve material balance group (MatCode) molecular weights.

Update OLIGetMolWt to support material balance group names

OLI CD
4294 15303 OLI/Toolkit

OLI/Toolkit (part of ProII) ScratchPad function does not work with license for Toolkit.

Error:
*** ERROR: Unable to acquire ESP license

Confirmed. It seems that the scratchpad function does not work unless BLMAIN is installed and that only happens with a full ESP license.

Previosly for a scratch.pad case, it logged in the license for ESP, now it logs in to OLIEngine.

User (US) AR
           
9.3.2 General Release

General

  • Bugs resolved for this version = 03
  • The database was updated for this version. See the release notes:

July 21, 2016

Bug ID OLI Case AREA Description Reported by Resolved by
3923   ESP

A pumparound at isothermal conditions (220 deg C) temperature is specified in the attached case, the pumparound is going from stage 1 to stage 2. But the Column report shows the heat duty on stage 2 to be zero. It also doesn't reflect the changes made to pump around temperature or molar flow rate. Please see if this value is being updated or being reported at all?

Corrected display of Pump-around heat duty and temperature

OLI PK, RDY
4020   Regression

OLI Regress Define is limited to 80 characters. If the define line is more than 80 characters long, the program reads only the first 80 characters and rest are ignored. This action sometimes adds loner defines in the equation set.

OLI Regress does not check if the defines in a equation are already defined. So, there could be defines which are undefined.

Few Modifications are implemented:

1. Added ability to handle DEFINES longer then 80 characters

2. Added warning message for undefined variables in a user define

3. Added check for undefined variables in a user define line

OLI PK, RDY
4021   Solver/Engine

After the change in the engine to include new Sulfur chemistry, few issues were identified. 
1. A Crash in Scalechem Standard for solid volume calculation (only for 9.3.1).
2. K values for Solids missing in some cases (9.3.1 and older versions).

Several issues were fixed.
1. Switch to appropriate solid volume calculation routine in the solving process.
2. The location of Solids were searched in the inflow names for solid property calculation. Now this has been corrected to search in the Speciation list.

OLI PK, RDY
           
       
9.3.1 Not Released

General

  • Bugs resolved for this version = 7
  • The engine was updated to handle our revised sulfur chemistry.
  • The engine routines used to create stability diagrams was updated to provide the OLI Studio/Analyzer program more resolution.
  • The database was updated for this version. See the release notes:

July 18, 2016

Bug ID OLI Case AREA Description Reported by Resolved by
3226 12815 ESP

ESP does not have Pump block. The only block which can take care of isoentropic change or polytropic change is Compressor block.  Should we always apply Compressor block even to increase pressure of liquid phase stream?  It looks strange to us process engineers and I think OLI should add Pump block in ESP.

A new pump block has been added, it allows for the user to either specify a discharge pressure or a pump curve. NPSH calculations are also performed.

Agent (Japan) AR
3595   Engine

Engine will flag an error if Gibbs minimization fails.

Previously the solver used bad initialization results from Gibbs minimization, now the solver is bypassed and the case is failed if Gibbs minimization fails.

OLI AR
3760   ESP

When clickin on Help -> About OLI Software , the screen locks up. The user cannot exit from the Help screen. The user cannot move ESP screen either. The only way to exit this is via Task manager.

Fixed KeyDll to export pause/resume keyboard hook and modified Fotran code to call new functions before and after the about dialog

OLI CD
3860   Engine

Water analysis warns that solids are formed but no solids in the calculated stream.

Updated to show phase formed warnings based on actual phase mass rather than the warning code from engine. It is sometimes incorrect

OLI CD
3886   Engine

Add a Methanol-HC correlation for use in the MSE.

A correlation for UNIQ parameter between Methanol and HC has been added in the engine.

OLI PK
3903   Engine

When sublimation reactions are present engine does not bound the sublimation index of each reaction, for example at very high temperatures the sublimation index can go below the lower bound of double precision limit.

Sublimation log(K) values where unbounded, going above double precision for high Temp cases. This has bee fixed by limiting -log(K) < 200.0

OLI AR
3941   Engine

Engine causes liquid phase activity coefficients to be calculated for a vapor only predicted stream. There is no check to see if there a liquid phase during this calculation.

For Aspen: Aquous cases tend to calculate Molal activity coeficients for a vapor only stream during solution process(Solver). Was fixed with a check for AQ and is_aspen.

OLI AR
           
9.2.8 General Release

General

February 02, 2016

Bug ID OLI Case AREA Description Reported by Resolved by
3593   Solver

When an Assay (e.g., RESID) is created, an extra AQ species (e.g., RESIDAQ) is created along with the cut names (e.g., RESID_573KAQ and so on).  

Updated Studio code to not generate the AQ phase for the Assay.

The extra AQ species is dropped from the species list. The old chemistry model file (*.dbs) will work as it is. This is only for studio, does not applicable to ScaleChem.

OLI CD, PK
3668   Solver - Regression

Set pH regression case, with either acid or base as an inflow:
If the case is invalid (for example reducing pH with base as an titrant or vice versa), the engine was converging to a solution. The engine first drives the free inflow to a very small number and subsequently removes from the fix/free equation set, and assumes that it achieved a convergence.

A check was added which throws an error if iteration exceeds a preset number and the species molar flow is less than the set amount

OLI PK
3669   Solver - Regression

Set pH calculation in Analyzer and OLI Engine regression are quite different. Regression does not allow the free inflows (initial estimate or guess) to be zero whereas OLI Studio does. Thus the results are different in some extent.

For a pH fix-inflow free calculation, a small guess value was set if the user does not provide any guess value to start with. The OLI regress and Studio are expected to have comparable results.

OLI PK
3680 14096 ESP

Unconverged SPLIT block, bad temperature detected with a solid-only stream.

Solid only stream in aqueous model copies inlet stream to outlet if one input stream and no change in pressure and no duty. A equilibrium calculation will not follow.

User (Canada) PK
3690 14120 Solver

2nd liquid GFE0 is incorrect in AQ model.

The standard state Gref0 for the organic phase was incorrect in the AQ model. Property calculation was updated to fix standard state and free gibbs energy calculation for organic phase in the AQ model.

User (Europe) PK
3757 14248 ESP

Mixer bubble point pressure, blank entry defaults to zero

The bubble point pressure calculation is defaulted to 25C unless user override it.

User (US) PK
3759   ESP

Crash after clicking on flowsheet option under Process Build

Block computing and naming was mismatched. The block counting routine has been updated.

OLI PK
           
9.2.7 Not Released This version was not released. November 30, 2015
9.2.6 General Release

General

October 20, 2015

Bug ID OLI Case AREA Description Reported by Resolved by
3575 13818 Solver

Mixture of MEG and C16 is predicting a solid MEG phase

There are two resolutions to this issue:

  1. Added a SOLU record to MEG and now the 2nd liquid phase is predicted and no solid MEG.
  2. Aded a phase check to correctly partition and swap the phase at the initialization routine if no water (or less than 1x10-7) in the system. As a result, phases are correctly partitioned with less iterations required.
    Also added MEG matcode to the special LLE algorithm.
User PW, PK
3579   Solver

Strict security must be implemented on the engine side for various products, especially those which can be run easily through command line.

Security has been enabled for all standard products. This includes login/logout and security checking in-between critical computations.

All procedures can be found under security.for under module in engines solution.

OLI AR
3596   Solver

ETHEGLYCOL and pseudocomponent UNIQ interactions and mutual solubility parameters will be added.

ETHEGLYCOL and pseudocomponent UNIQ interactions and mutual solubility parameters have been added in the Engine (MSE only). The parameters were developed by Peiming Wang.

OLI PK
3599   Solver

CRASH: Engine crash closing block restart file. Unable to close the temporary file while updating the *.bre file caused engine to crash. Issue related with mass transfer and standard column. 

Fixed the file closing on unit 98.

OLI RDY
3611   Solver

Heat Exchanger Heat Curve does not work as it supposed to be for multiple chemistry model.

Fixed the heat exchanger hcurve for multiple chemistry model and added option to create a hcurve.csv file (using Shellexecute) from the screen. The units in the hcurve.csv file were corrected.

OLI PK, RDY
3612   Solver

Recent data work for high pressure methane in hydrocarbons requires new interaction data for methane with pseudocomponents.

Added UNIQUAC (UNIQ), pressure dependent UNIQUAC (PR-UNIQ) and SRK interaction parameters between methane and pseudocomponents in the Engine for use in the MSE Framework.

OLI PK
           
9.2.5 Limited Release

General

  • The database was NOT updated for this version.
  • This was a special release of ESP for an update for DynaChem. It was only released to OLI's agents and not a general release.

August 20, 2015

Bug ID OLI Case AREA Description Reported by Resolved by
3549   Solver

All stages are not reported in the oue file due to static allocation of character buffer. This is a problem when the user wants to have a large number of stages for kinetics cases

New Alternate Character buffer for storing Kinetic Data that resets at every step fixes the problem in kinpri.for

OLI AR
3560 13768 ESP

Block report from Energy transfer is missing E-Field notation

The internal blocks such as exchanger has a tolerance limit of
1E-07. It can't be set tighter than this. The block report has been corrected to display the field.

OLI RDY
3564   Solver

FEATURE: Bou-writer/Oue-writer should report kind of message being written.

A message type ID is passed along with bou/oue writer, details of the message id is defined in allmodu.for under module msgtype

OLI AR
3566   Solver

A negative density is reported in the oue file and the Calculation fails but does not report what kind of error. 

A check for negative liquid-1 density at the end of olsolv.for and case is failed.

OLI AR
3567   ESP

Access violation crash in ESP. Single mass transfer column works OK. But, whenever multiples columns in the process with different number of stages in each column, there causing the crash in accessing/allocating mass transfer/heat transfer coefficients which were limited to number from previous column.

Check has been added to deallocate mass transfer data between column execution

OLI PK
3572   Solver

Corrections in mass transfer column packing correlations.

There were few glitches in the Billet and Schultes packed column mass transfer equations. The equations have been reviewed and corrected accordingly.

OLI PK
3591   DynaChem

A Feature request for a SWITCH controller that opens at a setpoint but closes after a specified time.

The Time-SWITCH Controller has been implemented as a special case of the SWICTH Controller, GUI update has been done.

Agent AR
           
9.2.4 General Release

General

  • Security was updated to prevent the LOC file from being displayed unless FULL ACCESS was enabled
  • The ability to switch an assay or a pseudocomponent between API5 and API8 was enhanced.
  • The dielectric constant calculation was updated to match the methods OLI has published in several papers.
  • The database was updated for this version. See the release notes:

July 9, 2015

Bug ID OLI Case AREA Description Reported by Resolved by
3223   ESP

Memory allocation problem for kinetic cases where there are many steps. A case with 35 kinetic steps (and more) and ESP crashed while accessing block results. 

Fixed memory allocation for large number of steps.

OLI PK
3425   Solver

K-Values in Aqueous model is not calculated accurately when only organic and vapor phase present.

orgfil.for did not store the calculated k values back to AV vector, which caused the wrong values to be displayed in analyzer.

OLI AR
3486 13550 ESP

FEATURE: Add energy stream from block (such as a energy transfer) to a column

This feature was added to ESP

User RDY
3520 13675 Solver

Another case where there is phase inconsistency issues.  In this case the solid phase appears and disappears over a smooth range. This seems unlikely. The case provided shows smooth behavior with restart=on but inconsistent behavior with restart=off.

Material balance group inclusion check has been updated.

User PK
3541   ESP

Adiabatic mixer (without any change input) only copies the input stream to out. It does not recognize if there is a chemistry model change for the block, and hence no change in certain parameters (i.e., scaling tendencies, if selected few as "scaling tendencies only" in the changed model) are noticed.   

Check has been added to identify switch to a sub model from master model and vice versa which will prevent copying stream in case of adiabatic mixer with multiple chemistry model. A flash calculation will follow.

OLI PK
3345 13128 Solver

FEATURE: Expose dielectric constant so it can be reported

Engine support completed by as of 9.2.3.

Agent ODT
3535   ESP

in ESP, for the column block, Liq-1 and Liq-2 are supposed to swap if Liq-1 (Predominantly Aqueous) has 50% more organics present.

The problem was fixed by RDY, Essentially the vector slots corresponding to Liquid-1 and Liquid-2 were swapped if 50% more oil was found in Liquid-1. The swap was performed at the end of the equilibrium calculation to converge correctly.

OLI RDY, AR
3547 13719 ESP

Error message displayed when Calc Order used.  Error is incorrect. The case had 11 tear streams but the solver was limited to 10.

Although the solver was restricted to 10 in the loop though the maximum allowed tear streams (MXTEAR) is 15. Tear streams are increased to MAXTEAR allowed.

Agent PK, RDY
3550 13370 ESP

CRASH: When creating CSV file from column block report on a shared drive

Replaced Launch executable by Windows Shellexecute to open the CSV file.

User PK
3551   Solver

Correlation for UNIQUAC interaction between Pseudo component and Acetic Acid/Formic Acid has been added in the engine.

OLI PK
           
9.2.3 General Release

General

May 5, 2015

Bug ID OLI Case AREA Description Reported by Resolved by
3437   ESP

If you launch ESP the samples are copied to the users folder every time the program is run and every time a dbs file is generated.

The problem was actually in the security's check configuration routine that is where samples are copied. Updated code to add a SamplesCopied entry into the registry to prevent subsequent copies.

OLI CD
3445   Engine

The .loc file should not be created when full access is not enabled.

The file unit will not be opened for writing into if the full access check fails. Subsequent writes to this file unit is preceded with a full access check.

OLI AR
3452 13237 ESP

Investigation: Does the mass-transfer column calculate a hold-up time and can that be used for reaction kinetics?

This was fixed by dividing stage height with actual velocity. A report in the Block results named "Kinetic Profile data" has been added where the holdup time, actual velocity per stage will be reported. This calculation is for packed column only.

User PK,RY
3465   Engine

CO2 interaction with psuedo and HC needs to be updated.

The following have been implemented in the Engine side for the upcoming databank release (9.2.3).
 
1. CO2 and pseudo component UNIQUAC interaction parameters MSEPUB --- correlation added 2. CO2 and hydrocarbon SRK parameters MSEPUB --- existing correlation removed 3. CO2 and hydrocarbon SRK parameters AQUEOUS --- existing correlation removed 4. CO2 and pseudo component SRK parameters AQUEOUS --- correlation added

OLI PK
3485 13406 Engine

Incorrect phase equilibrium with new databanks using pseudocomponents

This phase behavior problem was due to not including pseudo component in the special algorithm. This was fixed by adding the pseudo component material balance code in the inclusion check.

User RY
           
9.2.2 General Release

General

02.09.2015

Bug ID OLI Case AREA Description Reported by Resolved by
3365   ESP

Crash when exporting summary data to CSV file when CSV file is already open.

code is added to check the status of the file. If it is opened, any warning message is printed out. It prevents the software crash. (spredsh.for)

OLI ODT
3366   ESP

An typographical error was made entering data for pseudocomponents. This crashed the software.

Protections were added to the code to prevent the crash.

OLI ODT
3401   CSP

Redox Chemistry for Np(0) Subsystems is missing from the program.

Redox Chemistry for Np(0) Subsystems has been added.

OLI PK
3412   Solver/Engine

Pressure dependent mid-range parameters are not reported correctly in the LOC file. 

Pressure dependent mid-range parameters (PR-MIDRA) have been stored correctly for LOC file view. FYI, there are only few sets of PR-MIDRA interaction parameters (e.g., CLION/NAION, CLION/SIO2AQ, NAION/OHION

OLI PK
           
9.2.1 General Release

General

  • The database was updated for this version. See the release notes:
  • The calculation method for thermal conductivity has changed. This created new parameters for thermal conductivity. What this means is that if you run a case using an old DBS file the value for thermal conductivity will be exactly 0.0 in MSE. Thermal conductivity is always 0.0 in the AQ model. A model regeneration is required to see the new updated value.

12.10.2014

Bug ID AREA Description
3245(12870) ESP

Calculated molar flow is much larger when input is set to volumetric flow. The calculated molar flow is exactly 50 moles.

This is a case of unknown frac and known volume. The guessed value of 50 moles was not scaled back proportionally to input flow rate. The fix updates the frac/volume correction. (PK)

3308(13034) Engine

 

Inconsistent phase behavior with organic liquid and REDOX.

An error in the derivatives for redox equilibrium reactions was corrected (RDY)

3312 Engine

Thermal Conductivity Update

Thermal conductivity calculation has been updated. This update is for version 9.2 (dbs version 17.3).

1) We have renamed the existing thmpar.dat file in our databank to thmpar2.dat. This is because there has been a major change in the number of interaction parameters between species. So, accessing the old thmpar.dat with the updated engine will result in erroneous calculations.

2) Updated engine will look for thmpar2.dat only. If thmpar2.dat is not in your databanks (which is the case using older databanks), we won't calculate thermal conductivity and flag appropriate warning message.

3) However, if the users turn-off thermal conductivity for his/her calculation, we won't flag any warning even if the thermal conductivity is not calculated due to not finding the thmpar2.dat file.

4) Mass transfer column calls eqprop directly for thermal conductivity calculation. For mass transfer column, if liquid phase thermal conductivity is not found or not calculated, it returns 500.

(PK)

3313 ESP

A user reported a fast kinetic STD type case with inflows NH3 and H2O.
Kinetics defined as:
NH3AQ+H2O=NH4ION+OHION with AF=1.0D+10.
This case failed to converge.

Improved initial values and checks in the initialization routine.  (PK)

3315 Engine

Data regression case for fugacity did not return the correct value.

Improved transport properties calculation and phase check for fix/free calculation.

(PK)
3320(13074) ESP

CRASH: Access violation in model build with PC's in MSE

This occurred when the names of the pseudocomponents are not equal character length. For example, consider NBP2, NBP17, NBP173, NBP201, NBP205. The name 'NBP2' was searched and was found in 3 places, similarly, the name 'NBP17' was found in 2 places, which overall increased the pseudo solvent count and crashed in the array bound. Improved the name check for
pseudo solvent counting.    (PK)

3418 Solver

Blmain API: File handles not always closed when blmain exits

Files are now properly closed

     
9.1.5 General Release

General

  • The database was NOT updated for this version.

08.07.2014

 

Bug ID AREA Description
2948(11687) DynaChem

Add activity coefficients to DynaChem output list

Activity coefficients have been added into the plot list of dynachem. To make it work, user specify "ACTCOEF" in the screen of Dynachem Plot specification. (ODT)

9.1.4 General Release

General

07.22.2014

Bug ID AREA Description
2525(10330) ESP

The Alt Entry for ion exchange uses the H+ ion.  Would you create a new template so that the species can be developed in MSE

Add a template for MSE .(psiodisp.for) (ODT)

3062(12287) DynaChem

Add Pressure Vessel support to DynaChem input screens.

This request have been implemented in prmain.exe and dymain.exe. (ODT)

3143 Engine

Analyzer case of Bubble point pressure calculation of Propylene carbonate and water mixture. The problem crashes in debugged version of the engine, however, works well in the released version. 

A check was added in the routine that calculates interfacial tension (iftsol.for). (PK)

3196(12736) Engine

Hydrocarbon stream predicted a single liquid phase, user expected two phases

1. Initial guess for low H2O values in 2nd liquid phase was improved 2. Better 2nd Liq exclusion test post-convergence.(RY)

3199(12758) ESP

Please check the ESP process block Saturator. 

I open a new one
Select Parameters
Select Adiabatic or Isothermal
Press Escape
It crashes the software

Fixed undefined variable (AF)

9.1.3 General Release

General

  • There were some old options available on the screens that are not supported any longer. These options were removed.
    • ProChem Model Generator
    • FraChem
    • ProChem Databank Converter
    • Automatic printing to MS-Works.
  • The database was updated for this version. See the release notes:

05.21.2014

Bug ID AREA Description
3112(12442) ESP

CRASH: A case with reaction kinetics crashes before calculating any blocks. forrtl: severe (64): input conversion error, unit -5, file Internal Formatted Read

fix format error in deco.for (AF)

     
9.1.2 General Release

General

  • The Pre-Scaling index was updated to not report any values when the case did not converge.
  • The databanks were not updated for this version

04.14.2014

Bug ID AREA Description
3102(12396) ESP

Calculated p-scale value is much larger with 2nd liquid phase enabled than without 2nd liquid.

There was a fix made in the engine that prevented pre-scale values from being computed when the current convergence failed. (CD)

     
9.1.1 General release

General

03.24.2014

Bug ID AREA Description
3066() ESP

FEATURE: Allow granular selection of transport properties

More choice of ESP optional property calculation in CalcAids>Property Calc.
Now electrical conductivity, viscosity, thermal conductivity and diffusivity can be independently chosen along with others as well as added support for bin file read (PK)

     
9.0.14 General Release

General

02.10.2014

Bug ID AREA Description
1287() ESP

Caps lock in not working for text entry.  Shift key worked oK

Updated keyboard handler to handle Caps lock key. Fixed OLIKeyDll to handle Caps Lock key (CD)

2636(10702) ESP

Selective redox does not enable all species

Selective Redox is now functioning properly (AF)

2909(11661) ESP

FEATURE: Adding HREF data out the output in a similar fashion as GREF

Standard state enthalpy and enthalpy for each true species are calculated and saved in a file with suffix .ENG, when the Gibbs free energy option is turned on. So that now it will create three files (Gibbs free energy, entropy, and enthalpy) in total if this option is turned on. (ODT)

2985(12020) ESP

Case original created in an earlier version crashed in the HEAT EXCHANGER code.

Fix undefined variable (AF)

2991(12055) ESP

Crash when calculating. A big modle without recycles crashes in TEAR stream algorithm.

Fixed array bounds error (AF)

2992(12029) Engine

Surface tension and Liq Thermal Conducitvioty values returning zero in AQ model without any error codes.

According to the code, IERR=2 is returned under these circumstances. Thermal conductivity and surface tension are not available for either
liquid phase with the aqueous model, fixed EQPROP to show this. (AF)

3006(12088) ESP

Very large process files crash when being edited.

A work array was sized incorrectly. (AF)

3011(12088) ESP

Very large process files crash when calculating

More array bounds errors (AF)

3038(12183) ESP

Stream in BST file (output) does not have same composition as in the BIN file (input). The set phase option was used.

If it is a vapor only inlet stream, it should use vapeq.for, skip the solver (it has already skipped initializer). (ODT)

3042(12170) Solver

Different results with two models with same inflows (Reported in Aspen PLUS V8.0)

Taking account of dew/bubble point for single component in initializer solve this problem (ODT)

     
9.0.13 Not Released   11.26.2013
9.0.12 General Release

General

10.21.2013
Bug ID AREA Description
2926(11710) DynaChem

True species amounts in moles not available in the PLOT

Code in Dynachem has been modified to add true species based moles into the Plot, and description of variables have been revised to be self-intuitive. (HZ)

2927(11830) ESP

Process completes but no block report for column. BRE file looks corrupted

Code has been modified to allow ESP to read and display column profile even if the restart option is turned off. (PSAPARM.FOR) (HZ)

2929(11845) ESP

Inconsisent units in Process  Build and in Block reports

In Process Build you can specify heat exchanger duties for a column in calorie units. The unit for millions of calories is MMCal/hr.

In Process Analysis | Block Reports for a column, the heat exchanger profile can be set to megacalories. This will display Mcal/hr.

Changed the unit of duty (MM) in the column/parameter/exchange duty to (Mega). Now Mega means 1.e+6 which is consistent with the general unit set where MegaCalorie is available as 1.e+6 calorie, and Megabuta 1.e+6 BTU (HZ)

9.0.11 General Release

General

  • Added a new feature of heat curves to heat exchanger (See Bug 2846 below).
  • The database was updated for this version. See the release notes:
09.26.2013
Bug ID Area Description
2762(1280) DynaChem

The pressure vessel (TANK) did not use the specified pressure.

When the downstream valve started off closed, it used the downstream pressure instead of the tank pressure. This was corrected.

2779() Dynachem A bug in the initializer may have caused bad initial temperature estimates when surface complexation was used.
2803(11455) ESP

Using Alt-L on process build locked program.

There are two reasons of this issue: 1, the number of streams is greater than the limit. 2, there is a dead loop in the algorithm which never runs over.

These issues have been fixed in the code.(FLOWPH.for)

2806() ESP

Added spreadsheet capability from the batch file version of ESP:

Here are the command line arguments:

  Usage: ESPBAT [/X<a>] [/H] <Chemistry Model> <Block Data File>

    where: <Chemistry Model> is the name of the DBS file
           <Block Data File> is the name of the BIN file
   if <Block Data File> is missing it is set to <Chemistry Model>

    optional arguments:
      /X<a>: create Excel output
        where if <a> is 1: Columns are Streams (default if not specified)
                        2: Columns are Species
      /H   : display this message

eg:  espbat /X1 dbsfil binfile

2815(11507) DynaChem

The program crashed if displaying a CSV file when the file was already open.

Code was added to check the status of the file (plot.csv) and if it is not writable, prompt out message to inform user and request to close the file in order to generate the new file.

2822(11456) ESP

Scaling Tendencies in CSV file are not taken as data since they had "D" nomenclature (double-precision) instead of the expected "E" nomenclature.

Scaling Index replaced by Scaling Tendency Changed "D" to "E" in number format Removed spaces from blank entries

2831(11564) ESP

Crash when exiting Excel plot for sensitivity block

The code was trying to delete the CSV file when it was still open in Excel also fixed an undefined variable. (HZ)

2839() ESP ESP Added Vapor Fraction as an outlet spec for the Process stream for Heat Exchangers
2846() ESP

Added Feature: Add Hcurve functionality to ESP and Engine, similar to Aspen.

Added vapor fraction as an outlet spec for the heat exchanger, as Aspen has this.
Added HCurve under Config menu for heat exchanger block.

If number of points set = 0, no HCurve will be generated If number of points = N > 0, then N additional points will be inserted between inlet and outlet conditions for the process stream, so N+2 data points in total, where point 1 = inlet conditions and point N+2 = outlet conditions HCurve not valid for temperature approach spec.

If vapor fraction is the outlet spec, it must obey 0 < vf < 1 to ensure stream is between bubble and dew point.  In this case if the inlet stream is subcooled liquid or superheated vapor, temperature stepping will be done instead.

Creates a file *.CSV and is viewable in the ESP file viewing utility

 

2849(11614) ESP

Crash when trying to increase the model size OLI.

Some arrays were out of scope in psgetmd.for which result in crashes in ESP interface.

This has been fixed by checking array size and reallocating them.

2853(11632) CSP

CSP screens are blank after returning from Rates calculation

Blanks screen issue fixed

2897() Solver When no pH is available (ie. no H+ or H3o+ ions), we need to return a big number, say 1.0E30.  Allow user to access this big number so they can avoid printing if needed.  Add as 501 to EQSOLD.FOR.
2902(11746) ESP

Units conversion error in stream report. grams to Kg was multiplied instead of dividing. The Kgmole unit was removed from ESP. (AF)

2908(11781) Regression change code to allow regress read a INR file which include tab or any character characters. (HZ)
9.0.10 Not Released This version was not released to the public. 06.18.2013
9.0.9 General Release

General

06.06.2013
Bug ID Area Description
1219(6191) ESP

MSE 2nd liquid case changes results across isothermal separator block.

This is a bug in block3.for where it tries to check 4 streams but in this case it only has 2 streams.

This has been fixed in block3.for.

2174(9598) ESP An "Ignore Block" option has been added to process analysis.
2760() ESP

Express survey crashes with access violation.

this is a bug in phase check and verification. (chk2liq2.for) during iterations, ionic species should be checked and updated each iteration.

2761() Solver   Added molality units for Ionic Strength in MSE model and for completeness, mole fraction units for Ionic Strength in Aqueous model.
9.0.8 Not Released This was an internal release not available to the public 04.25.2013
9.0.7 General Release

General

03.25.2013
Bug ID AREA Description
2653(10953) ESP The number of displayed decimals for temperature and pH were reduced to make them more reasonable.
2700(11062) ESP

Using a stream name of "CHEM " causes the program to look for a DBS file that doesn't exist.

User can now use the name CHEM or indeed UNITS as a stream or block name

2704(11000) DynaChem : Ion exchange species were active when there was no corresponding inflows. This occurred because the user removed most of the inflow species to save memory. What happened is the linear program used to map ions back to inflows failed and populated an incorrect species. The program was changed to keep some necessary inflows in the model.
2712() ESP Added the view when searching by the periodic table that the species name (OLI Tag) is displayed instead of the formula
2714(11102) ESP Some cases will crash when using RESTART on a RECYCLE (TEAR) stream. This was traced to an array bounds being exceeded.
2738(11169) ESP The units of weight fraction did not add up correctly in some large models. The arrays that hold the molecular weights for conversion were increased.
9.0.6 General Release General 02.11.2013
Bug ID AREA Description
2443 ESP

: Import of a stream from Water Analyzer (Toolkit) into ESP misses components.

if inflow species are not included in the regular inflow species list (just in mdl file), the software cannot read it correctly.

it has been fixed to check if the species is in the full inflow species list (in DBS file). if yes, read and include it to the bin file
2639(10863) DynaChem

Cannot plot vapor phase variables from unit when it is all vapor.

This is a bug and the reason is that the records of vapor phase molfrac are zeroed out wrongly in the plot file when the amount of liquid phase is zero.

this has been fixed (dypfil.for)

2666 ESP Increased the number of solutes in the Membrane block from 50 to 150
2703(10999) DynaChem Removed the old VAX options.
9.0.5 Not Released    

9.0.4

General Release

General

The numerical solver was updated to correct a memory storage issue. The interface did not change

12.07.2012
9.0.3 General Release

General

12.11.2012
Bug ID AREA Description
2589(10721) ESP

: Some streams do not report Scaling Tendency yet scratch pad does report them.

in separator block, if there is aqueous phase exits in vap, sol and org stream, the Scaling tendency of that stream should be equal ST in the aqueous stream.

This problem is fixed (block3.for)

2610(10702) ESP : Selective redox did not enable all species. Now set all states to be selected if the system is selected
2622(10804) ESP

: Mass-transfer columns with reaction kinetics are difficult to converge and are numerically unstable.

The derivative of exreact (extension of kinetics reaction ) with respect to liquid composition is miscalculated. Basically it is calculated using the liquid composition in the interface region.

9.0.2 General Release

General

  • The database was updated for this version. See the release notes:
  • Version 9.0.1 was not released to the user community, see updates since version 9.0.0 below.
10.12..2012
Bug ID AREA Description
2457(10357) ESP : Ion Exchange model building changed the name from Interactions to Exchange Reactions.
2509(10492) Solver : Support for large models has been enhanced. Large arrays will now be stored in sparse storage.  They will try to be allocated first, and if that fails, sparse storage will be used.
2567() ESP

Pressing the "T" key to display the interactive tear stream progress did not work in ESP version 9.0.1

This is a bug in blschk.for. A check for the key press in the dll was wrongly set to the opposite.

9.0.1 Not Released

General

  1. The molecular weight of water (H2O) was standardized throughout the code. The current value is 18.01534 g/mol.
  2. A Calculator block was implemented to be used in controllers.
  3. The controller can accept any block parameter.
  4. The databanks remain unchanged from version 9.0.0.
09.24.2012
Bug ID AREA Description
2450(10333) Toolkit

In Model Build – Alt-Entry>IonExch at the MDL build stage there is a Fortran crash

Added new data lines to XP.MAC file.

2484(10450) ESP There was an error in converting moles to pounds present in both the stream summary and the report generator for CSV files. This was corrected.
2486(10454) ESP When using multi-stage units such as an absorber, adding more than 8 heat exchangers results in some exchangers not being displayed or used. This is an unusual condition but the code was fixed to allow NSTAGE-2 heat exchangers to be use, excluding the top (condenser) and bottom (reboiler) stages.
2497() Toolkit the CSV report option has been removed. The code has never been implemented.
2537() ESP

ESP "ionic phases" displays molecular based liq-2 phase.

Fix reading of blanks on pH line

9.0.0

Pre-Release

General

  1. The databank has been updated with new parameters for MSE for density
  2. ESP: New Functionality
    • An INGORE function was added so a block can be turned off.
    • DUTY was added as a control parameter
    • BIN, BST and BRE files were converted to double-precision
  3. Interfacial Tension was added as a new thermodynamic parameter
  4. The database was updated for this version. See the release notes:
  5. The databanks have been moved to a unified folder for all v9.0 products
  6. The SYSTEM.SIZ file is not longer required. The system size parameters are now set in the registry entries:
    • 32-bit: HKEY_LOCAL_MACHINE\SOFTWARE\\OLI Systems\ESP 9.0\Common\System.siz
    • 64-bit: HKEY_LOCAL_MACHINE\SOFTWARE\Wow6432Node\OLI Systems\ESP 9.0\Common\System.siz

07.24.2012

Bug ID Area Description
2175(9642) ESP

This is a continuation of a bug from 8.3.11. Columns did not report vapor phase thermal conductivity to the output streams. This has been corrected.

2440(10305) ESP You can now use working folders attached to the desktop folder.
2441(10306) Toolkit

pH reconciliations crashed.

increase buffer size and fix format problem - needs PXCRATW.FOR 1.12

8.3.12 General Release

General

  1. This was an emergency release to fix a problem in unit conversion in the Excel output.
  2. The databanks were not updated for this version. They remain the same as for version 8.3.
6.18.2012
Bug ID Description
2376(10138) ESP: Summary: There was a unit conversion error in the generated CSV file when using wtfrac (weight fraction) units. This was corrected.
   
8.3.11 General Release

General

  1. The databanks were not updated for this version. They remain the same as for version 8.3.

05.22..2012

Bug ID Description
1976(8742)

ESP Ion exchange resins in pure water did not mass-balance.

The solver has been enhanced to handle pure resin cases. A pure resin stream means a stream in which there is no ionic exchange reactions for the resins. In some sense, this resin has to be treated as an inert species.

2175(9642) ESP Thermal Conductivity was not reported for the vapor phase in the CSV file. This was corrected.
2177(9626) ESP Liquid thermal conductivity is now reported correctly when in molecular-by-phase view.
2228(9530) ESP In the Column Block reports, the scaling tendency is now properly labeled. In previous versions it was labeled SI which may have been confused with Scaling Index (log ST).
2245(9716) ESP Cases that have a clarifier block but do not have bio-reaction caused a crash. A check has been added to test if bio-reactions are present and prevent a crash.
2256(9728) ESP Stream reports: value for H2O is now displayed in standard E format.
2257

ESP the unit menu doesn't work correctly in ESP interface within the development version. For example, the third of volume unit displays garbage depending on where it is clicked.

Fixed units issue (psunit.for)

2259(9749) ESP When using a mass-transfer column with SIEVE trays, the user must specify all parameters if the diameter is greater than 5 m (the limit of the correlation). The interface was updated to warn the user if parameters are missing.
2260

ESP The mass-transfer column always displayed a packed column regardless of the actual column type.

The column type in espf wasn't initialized correctly. it has been fixed in paparm5.for

2266(9798)

ESP Using petroleum fractions caused errors in model generation if the TBP (true boiling point) data exceeded 1000K.

Petroleum fractions were being sorted alphabetically in one place and by boiling point in another, resulting in a mismatch of component names when TB >= 1000K, as these are (bitumen).

2298

ESP : Databook : The material codes in the ESP screens are missing for private databanks.

The material code is stored in public databank (public/msepub), rather that the private. So to obtain the right MC, it has to be extracted from public.

It has been fixed in dsrept.for

2300(9854)

ESP Mass-transfer columns, Area specified but the program overwrote the values.

Fixed column area if it is specified by user when there is heat exchanger in this stage. for top and/or bottom stage, area will be changeable if there is heat exchanger.

2328 Engine: At specific T and P, the solver determined the organic phase should be eliminated, then start it from scratch. In this case, vapor phase should be the dominant phase (most of CH4). The initial activity coefficients are far away from the converged value if vapor phase doesn't include. therefore, the solver lose its direction.

The solution is that eliminating only organic and keeping other phases if j2liq = 0.

8.3.10 Not Released This version was not released to the public

05.15.2012

8.3.9 General Release

General

  1. Calculations of density were off in MSE because the molar volume stored in the databanks had not been used in previous versions. They are now used in this version
  2. Versions 8.3.7 and 8.3.8 were not released
  3. The number of significant digits displayed in the blocks and streams has been increased.
  4. Pressing the <spacebar> now deletes the entire contents of a field if it is the first character. This eliminates the need of repeatedly pressing the spacebar to delete characters.
  5. The user can now specify the key component in a stream to determine if it is a liquid or aqueous stream.
  6. The databanks were not updated for this version. They remain the same as for version 8.3.6
02.17.2012
Bug ID   Description
1515(7717, 7475)   ESP You could not close the Help|About box without out using the Task Manager. This has been resolved.
1823(8824)   ESP A crash can occur if a required parameter for a block is not specified. A check has been added to test for this condition at run-time.
1831   ESP The spreadsheet function for surveys was finally implemented.
1839(8891)   ESP The ScratchPad calculation on an output stream in ESP gave different results. This was traced to a phase be dropped in the scratch pad calculation
1840(8891, 8900)   ESP Updated Stream Results output table. Now the output makes a bit more sense. Read warning at bottom of screen (which wasn't a warning) has been changed to white.
1845(8894)   ESP The spreadsheet view of the stream results would miss the density row if the last stream did not have a density value (such as a vapor stream). This was updated.
1888(8928)   ESP UNC names are now supported in the CSV file option.
1930(8980)  

ENGINE The solver initializer sometimes included the incorrect number of phase at a given T,P, x. This was updated.

A secondary bug was found in a vapor-only stream in adiabatic calculations in that the calculated K-value was incorrect. This was also updated.

1933(8984)  

ESP In reaction kinetics, the equilibrium constraining factor is now valid for both:

KF=KR*KEQ and KR=KF/

1934(8989)   Toolkit Double-clicking a stream in the Stream Manager results in a hung program with a lot of beeps. This was traced to another unitialized variable.
1937(8993)   ESP The incinerator unit operation failed to start due to an uninitialized variable. This was corrected.
1938(8949)   ESP When entering inflows and private databanks are enabled, the errant message about missing species is no longer displayed.
1948(9035)   Toolkit The ASAP variables for viscosity have been added to the toolkit survey plot variables.
1964(8766)  

There was a cutoff Temperature (300C) in the code for the Pure water. The cutoff has been taken off, then the calculated density is comparable to that in the steam table up to critical point.

1968   ESP Pressure units are now standardized. This avoids the error of entering 1.0 ATM then converting to another unit and then converting back to ATM and the value displaying 0.99999.
1973(9102)   ESP The stream order in the CSV file has been reverted to the same order as in the BIN file.
2069(8845)   ESP The CSV file no longer has any space characters. All spaces were converted to nulls.
2150  

The phase behavior is wrong for non H2O pure system in the MSE model. The vapor phase is still predicted with pressure higher than bubble pressure as shown in the attached case which has only C7H16 in the inflow.

This has been fixed in the solver and a system like this now is handled correctly

2153(9437)  

ESP An unexpected solid appears in the stream summary. This "Solid" does not have any solid thermodynamic values so it was impossible to form.

The apparent species that formed had the exact same material codes and the solid that formed in the stream. The program got confused and mapped the incorrect species.

The code has been modified to let the engines handle this situation correctly. <flomap.for>

2154  

The Fortran routine eqprop did not calculate enthalpy of 2-liq phase correctly. if not calling olsolve first, eqprop doesn't calculate enthalpy of aqueous phase correctly either.

The excess enthalpy for the MSE model was not calculated correctly for 2-liq phase. Some key variables (HKF variables) were not set for the calculation of enthalpy when the solver are not called before EQPROP.

They have been fixed

2158(9406)  

ESP Occasional crashes when a process takes a long time to run. A restart file is created automatically but the path name length for the file was limited to only 80 characters. If the name exceeded this length the program crashed.

The name length was increased to 256

2165(9552)   ESP A crash occurred when selected solids in a settler unit. Another unitialized variable was detected and fixed.
     
8.3.8 Not Released       02.03.2012
8.3.7 Not Released       02.03.2012
8.3.6 General Release

General

  1. The database was updated for this version. See the release notes:
09.30.2011
Bug ID   Description
1568(7931)   Engine Some MSE cases used to take about 1 hour to converge suddenly took 2 hours because of a change in an integration subroutine for electrical conductivity. This integration subroutine was modified to be slightly less rigorous which dramatically speeds up the calculation. The improvement clocked at 60 times faster.
1597(8086)   ESP The change folder feature now centers on the current folder when opening in Windows 7. In previous versions, the centered folder may appear off the dialog.
1664(8279)   ESP Sublimation is automatically enabled in ESP. The model option switch has been removed.
1691(8408)  

DynaChem: New Feature: You can now plot material balance groups and scaling tendencies in the DynaChem report.

The name for total mat code is MCT_(mat code name) such as MCT_H(+1)
         for liquid phase, MCL_H(+1)
         for vapor phase, MCV_H(+1)
         for solid, MCS_H(+1)
         for 2nd liquid, MCL2_H(+1)

scale tendency can be plotted too. The name for that is SC_solid name like SC_NACLPPT

1701(8465)   ESP: New Feature: The default output format for ESP is the CSV file (Excel format). Any changes to to the default settings are retained during the ESP run.
1716(8570)   ESP Searching in the Databook via periodic table can cause an access violation (Crash). Another one was found and fixed
1725(8560)   DynaChem The program was updated to use the same SYSTEM.SIZ file as ESP.
1738(8385)   ESP Some older ion-exchange examples in ESP use resins that are missing components. The generator has been updated to trap this error condition.
1740(8389)   DynaChem Ion exchange cases with more than 30 SOL species caused an access violation. This limit was increased.
1777  

Data Regression: Inconsistent results were observed between regress using INR and ESP flash using parameters from database. The system has pressure dependent mid-range parameters.

Wrong index of pressure dependent mid-range parameters had been created in the GENERATOR. It has been fixed in the ECDUMP.

1785(8744)   ESP/Toolkit The Water Analyzer crashes in a pH reconcile. This was traced to an uninitialized variable.
     
8.3.5 Not Released       09.12.2011
8.3.4 General Release

General

The database was updated for this version. See the release notes:

06.30.2011
Bug ID   Description
1593(8054)   ESP Multistage columns that have components with very low liquid solubility may not converge. Code was added to assist in converging these cases.
1594(8071)   ESP Using the F10 activated the windows menu line instead of the ESP menu line. This was corrected.
1616   ESP An undefined variable caused ESP to hang after specifying a distillate rate in a multi-stage column.
1650(8229)   The pH value on a set pH calculation in the Scatchpad calculation did not hold. It was blanked out. This has been corrected
1652(8062)   DynaChem A feature has been added, you can now display the 2nd liquid phase composition on the interactive displays.
1656   During model generation, searching by a formula resulted in a crash. Code was added to protect against this situation.
1666(8306)   The OLI/Databook program hung when searching via periodic table and duplicate formulas were selected. Code was added to protect against this problem
1673(8330)   ESP a crash occurs when selecting flow in a controller. This was traced to an uninitialized variable which was corrected
1681(8383)   ESP Searching for a component during model generation build when using MSEPUB found the wrong species in the PUBLIC database. The correct databank is now searched.
1682(8375)   ESP When using ion-exchange and entering resin data from the chemistry model generator, the activity coefficients for the Wilson model were defaulted to 0.0 which means no interactions. This caused a crash which was not detected by the interface. The defaults are now set to 1.0 which means idea.
1687(8419)   DynaChem The dbs file reader crashed when initializing a large model. This was fixed.
1688(8413)   DynaChem The DynaChem Interactive Unit display reports Current Volume.  However, this volume is only the Liquid1 volume. The title was changed to reflect this value.
1690(8418)   A case with a large number of species did not generate properly. Placing a system parameter file in the local working folder did not work as it did in previous versions. This oversight was corrected, the SYSTEM.SIZ file, if present in the working folder, will be used.
1694(8387)   ESP Species can be searched for during model generation builds. Ions would appear on this list which cannot be used as inflow species. Ions are now suppressed during this step.
     
8.3.3 General Release

General

  1. The database was updated for this version. See the release notes:
04.19.2011
Bug ID   Description
1584(8002)   ESP Some ions in the ion-exchange template for creating models were not displayed. The screen area was too small and has been increased.
1585(8003)   ESP Ion exchange in a model build would crash if using a private database. This was traced to not having all the information read in from the private database at generate time. A check was added to prevent this
1586(8004)   ESP After importing a species into a private database, all the text on the screen vanishes. An variable was not initialized before use caused the problem.
1588(8023)   ESP The split block still had some issues with a crash after the last stream was entered. There were some variables that were not initialized still in this block. This has now been resolved.
1589   ESP If a number such as 10000.302 is entered into a field, the value stored is 10000.30xxxxx which may result in random numbers being saved. This error was fixed by using the stored variables from the solver instead of from the screens.
1605(8097)   ESP An Electodialysis block will fail if the current efficiency is set to low. Code was added to protect against this condition.
     
8.3.2 General Release The databanks were not updated for this version. 03.22.2011
Bug ID   Description
1557(7853)   ESP Searching for species in the MSEPUB database via the periodic table resulted in odd behavior and compute crashes. These are caused by using unset local variables which the Digital compiler appeared to SAVE by chance.  The Intel compiler doesn't.
1557(7866)   ESP Flow split blocks crashed when pressing the <Enter> key on the last stream. This should have displayed the Parameters menu. The change from the Digital Fortran Complier to the Intel Fortran compiler has resulted in some automatic variable saves not being performed. This has been updated.
1559(7868)   ESP The output files returned an error

forrtl: severe (105): there is no data-edit-descriptor to match a data-item in the I/O list, unit 17

This was traced to a formatting issue in the report. This was corrected.

1563(7890)   ESP The electrodialysis block had stopped writing parameters to the BIN file. This was corrected.
1573(7864)   DynaChem case with user added variables fails on start up. A undefined variable in the software itself is now defined. The crash is removed
1575(7946)   DynaChem vapor that existed in a tank unit was not recorded in the output. This has been corrected
     
8.3.1 General Release

General

  1. The database was updated for this version. See the release notes:
  2. The user can now overwrite critical parameters for both pseudocomponents and for assays in the ESP chemistry model.
01.28.2011
Bug ID   Description
7488(7588)   Cases with small values of H2O are automatically zeroed out such that no liquid phase appears. Resultant values of pH and ionic strength are still visible. The code was updated to zero these values as well
1290(6468)   The output of the trace window during an ESP run frequently extended beyond the width of the window causing a word-wrap. This made the window hard to read during the run. The width was extended
1355   When selecting REDOX, the elements are each now sorted by oxidation state, lowest to highest.
1454(7480)   The ESP Process Stream Results window was increased in width to display more characters
1501(7576)   DynaChem small vapor mole fractions may result in round-off errors when computing total flow. This round off error may result in negative flows being reported. This was corrected
1502   DynaChem ENTRY units with more than 80 start times could not be read by the interface. This was corrected
1503   The ScratchPad precipitation point calculation would show the incorrect solid when selected. It also displayed the selection screen twice. This was corrected.
1504(7671)   DynaChem Plot option 3 was supposed to create a CSV file in the current version. It did not, a PRT file was created. A proper CSV file is now created
1513(7718)   The Summary of Stream Results window was widened by 20 characters to make the stream names more visible
1514(7721)   Some streams, once calculated, could not be opened in the code. A series of undefined variables were fixed
1518   In previous versions, the surface complexation variables of the type CPI and CPM were not displayed in the OLI Express plot. This has been updated
1520  

DynaChem The values for CPM or CPI species were added to the plot file but they have different units. The DOU file reports molecular based values, in which the unit of CPM/CPI is gmole/hr. The plot file reports true species based value, in which the unit is gmole/LIQMOL/hr.

1521  

Data Regression The REGRESS.EXE program should be able to take acid/base simultaneously for fix pH calculation.

This was resolved in two steps
1, acid/base are taken as an option. It still works with just one of them
2, the first one has higher priority, that means users should decide which one is the most likely to use in order to save time for trial/error

1533(7667)   DynaChem The filed size for the controller set points were increased by 1 character.
1545   The number of displayed rows in the Stream Summary report was increased to 20 rows. This the maximum number with the current interface
     
8.2.6 General Release

General

  1. The database was updated. See Database Release notes for details
  2. The API method for calculating thermal conductivity and surface tension has been added for pseudocomponents.
  3. Speed improvements for the computation of pseudocomponents has been implemented.
  4. Ion-exchange documentation has been improved
  5. The code base for the alliance engines has been made unified.
  6. 2nd liquid case initialization has been improved for multiple point surveys.
  7. Copper Chemistry has been added to the corrosion rate model
10.21.2010
Bug ID   Description
1412 (7222)   The unit on the screen for vapor fraction calculations read molar. It was changed to read mole frac
1414 (7221)   When a process has multiple tear streams exiting the same block, the recycles appear not to converge even tough the err/tol value is less than 1.0. the problem is that the program updates both tear streams after each iteration, updating both. This causes a flip-flopping action. This was corrected
1434 (7195)   Crash in a controller block could occur if no specification was saved and the user then re-entered the block via Process Build. Code was added to protect against this type of crash
1439 (7299)  

The mass-transfer column did not transfer the correct number of moles from the vapor to the liquid side of the interface:

There was a typo in the vapor portion of the mass transfer code. This slightly affected the results. The main issue here is that on the liquid side of the interface there is reactive (equilibrium based) chemistry which makes it harder to see that the moles transferred were correct.
Essentially the program back calculates what the mole fraction composition should be on the liquid side of the interface and then performs a flash. After the flash the species are converted back to molecular form for the algorithm. Unfortunately the LP is not consistent in what gets converted.
The mole fraction composition is then reported which is different than was used to start the flash calculation.
In addition, a new term was added to each side of the mass-transfer equation which accounts for convection (or drag). The added term for both sides is
Vapor:
Tri=(Yi-Yi* )*Area*MTCVi+(sum(Tri ))*Yii


Liquid:
Tri=(Xi*-Xi )*Area*MTCLi+(sum(Tri ))*Xi

Where
Tri = moles transferred
Yi = the vapor mole fraction of species “i”,
Yi* = the vapor mole fraction of species “i” at the interface,
MTCVi = the vapor mass transfer coefficient for species “i”,
Xi = the liquid mole fraction of species “i”,
Xi* = the liquid mole fraction of species “i” at the interface,
MTCLi = the liquid mass transfer coefficient for species “i”,

1440 (7360)   Bioreactors with solid reaction kinetics occasionally do not converge. The code was modified for this rare occasion to include solids when initializing the reactor. If this fails to converge then the solids are removed and the reactor converged. The solid are then added back to the equations and the reactor re-calculated
1458 (7477)   A crash occurred in the subroutine gmfactor when a large case was run. The source of the crash was fixed.
     
8.2.5 Not Released        
8.2.4 General Release

General

  1. The OLI databases have been updated. See Database Release notes for more information.
  2. Users with Assays and Pseudocomponents may experience long model generation times. This is a known issue that will be fixed in the next version.
08.02.2010
Bug ID   Description
1382 (7063)   Importing streams from a water analyzer SMP file failed if a chemistry model solid file (SOL) did not exist and a process file (BIN) did not exist. This used to work in earlier versions. This was corrected such that a chemistry model and process model do not have to pre-exist to import the streams.
1387   Added the new parameters that are available in the solver
1) Surface Tension(MSE Only) for Liquid 1 and Liquid 2
2) Standard Liquid Volume (MSE/Aq) for Liquid 1, Liquid 2, Vapor and Solid
3) Thermal Conductivity (MSE) for Liquid 1 and Liquid 2 (already available for Vapor in MSE & Aq)
 
8.2.3 General Release

Engine

  • Solver
    • The new property Standard Ideal Liquid Volume has been added to the solver
04.27.2010
Bug ID   Description
1358 (6818)   The units of ionic strength shown in the ESP screens; Molal for AQ and Mol Frac for MSE
1362 (6857)  

Creating a solid in a private database resulted in a crash.

The length of solid phase equation had been increased from 80 characters to 140. The "read" was not changed to provide enough space for that.

8.2.2 Release

ESP

  • User Interface
    • The user can now select individual oxidation states from a single sub-system. For example you can select Cu+1 and not have Cu+2. Previously it was all or nothing for a subsystem
    • The ESP manual has finally been updated to version 8.2
    • The Mixed Solvent Electrolyte (MSEPUB) and aqueous (PUBLIC) public databases were updated. See Database release notes

Engine

  • Solver
    • The issue with the dew point calculation not displaying any liquid phase properties has been resolved.
02.23.2010
8.2.01 General Release

DynaChem

  • Individual component data (such as a solid) was not saved at nodes. This mean a component controller could not work if a node was the measuring point. When a controller now uses a node with a component DynaChem will then re-calculate the node to obtain the component flowrate. This adds some overhead to the calculation but only occurs when the node is set for component flow
  • Mass-flow controllers were added for DynaChem. Previously only volume-flow controllers were allowed

ESP

  • User Interface
    • The standard state entropy report was updated to have the correct column headings.
    • The report output is now defaulted to be the spreadsheet CSV file instead of the traditional text file (LIS).
    • Users of Vista and Windows 7 reported slow typing with ESP. The dll that accepts keyboard input was updated.

Engine

  • Redox was enhanced so individual oxidation states in a sub-system can be removed instead of the entire sub-system.
  • MSE: The thermodynamic framework was updated to include pressure dependency on the activity model

Databanks

  • The Mixed Solvent Electrolyte (MSEPUB) and aqueous (PUBLIC) public databases were updated. See Database release notes
12.11.2009
8.1.10 General Release Engine
  • An odd condition occurred with the 2nd liquid phase enabled for MSE cases. The case ended up with no 2nd liquid phase but had a different dew point than if no 2nd liquid phase was enabled. This is very inconsistent. The solver was updated to perform better initialization and testing of phases
  • The molecular weight of coprecipitating species (LT) were not calculated correctly. This has been corrected
  • Rebuilding model definition files (MDL) from existing MOD files did not honor the thermodynamic framework that had been selected. This was corrected
  • A bug was detected that in MSE 2nd liquid cases the initializer occasionally would consider a single phase a a pure phase and not calculate an equilibrium condition. This was corrected
  • Problems were found in the API-8 code for pseudocomponents and assays. Certain names did not work properly.
  • The extended thermodynamic property reports for Gibb's Free Energy and Entropy have been written to separate files for ESP. The column headings for Entropy were misleading which has now been cleared up.
  • MSE: Major issue was detected with ions in the 2nd liquid phase. They were not properly accounted for in the mass balance. This could lead to numerical instability when the ion concentrations were large. This was corrected.
  • MSE Bubble point prediction calculations for 2nd liquid phase cases were improved.
  • The restart vector for REDOX was being used incorrectly. This led to REDOX cases having two answers. This was corrected

CSP

  • Stability diagrams had lost the ability to display the natural pH of the solution. This feature was restored.
  • Stability diagrams for MSE required a small amount of H2O to be present in the calculation to calculate the PH of the solution. We now add 1.0E-12 * total stream amount (in moles)

DynaChem

  • Vectored input field are allowed on many operations to scheduled events. This did not properly work for valves when scheduling a valve to close. The time of the closed valve event was not recorded which made the plot routine skip points. This was updated to work properly
  • PIPE units, adiabatic calculations were still performed even if discharge temperatures were specified. This cased unexpected temperatures. This was corrected
  • The ID numbers are now dynamically allocated so you can now have ID's up to 999,999. This applies to UNITs, NODEs, VALVes, PUMPs, CLOOps, etc. Formerly you limited to values below 99. This does not mean you can have 999,999 actual ID's only that you may use numbers in that range.

Database

09.23.2009
8.1.9 Internal Release    
8.1.8 Not Released    
8.1.7 Not Released    
8.1.06 General Release Engine
  • Solver
    • There was a temperature error check that failed for adiabatic calculations that were all vapor. This was a very esoteric bug, the user had to have a single stream to a mixer or separator that was all vapor. The block was also set to an adiabatic calculation. The block determined that the calculated enthalpy was the same as the input enthalpy and marked the converged flag to true but it still perturbed the temperature for convergence. The introduced an offset in the reported temperature.
ESP
  • User Interface
    • The program to interpret key strokes was updated to allow users of Microsoft Vista.
    • Chemistry Model
      • OLI has now adopted API 8.0 and has converted all of the ASTM methods. These methods are:
        • ASTM D86
        • ASTM D1160
        • ASTM D2887
      • The Model Aids action has been updated to allow users to select from either API method 5 or 8
    • OLI/Databook
      • When creating a new databook the automatic population of the material code numbers and ion code numbers did not occur. This was traced to a limitation in the name length for the location of the databook folders. This was only 80 characters and the new location under Documents and Settings exceeded this limit. The limit was expanded to allow for the new database location name.

CSP

  • Stability Diagram: E-pH
    • A recent change to allow more metals to be considered on the Pourbaix diagram caused the memory allocation to exceed 500 mB of RAM. This can cause many computers to crash in virtual memory. The array that sets the diagram coordinates has been dynamically allocated to reduce it size. This will affect the OLI Analyzer program.

DynaChem

  • The exporting of data to Microsoft Excel was complicated due to the extremely large amount of data that was sent. This could overflow the maximum number of rows that Excel can use. The export routine was updated to trim data that is unwanted
  • The DIN file editor misread data from an DIN file created in version 8.0 when a vapor phase node was present in a PIPE unit. This was corrected
04.21.2009
8.1.5 Not released This version was not released 04.16.2009
8.1.04 General Release ESP
  • DynaChem
    • Two newly added screens were missing from the previous build for DynaChem. These are now included
    • The DynaChem plot program was updated
Engine
  • MSE The density calculation was improved to account for interactions for highly polar organic molecules such as amine hydrochlorides
  • MSE The UNIQAC composition terms were mislabeled in the database. This was corrected. The code was updated so that old databases read in with the new solver will work correctly.
  • CSP The Pourbaix Diagram engine was updated to allow for more than 25 base metals
Database
03.25.2009
8.1.03 Not Released    
8.1.02 General Release Engine
  • The option to constrain the reaction kinetics to the equilibrium constant only worked for a single reaction. Secondary reactions had the constraint set to zero. This has been corrected
  • The chemistry model generation warnings about missing thermodynamic properties had been removed accidentally for build 8.0.60 (after being restored for 8.0.58). These have been restored (again)
  • Reaction Kinetics: There was an error in the automatic equation writer when the reaction began with an ion that did not have a corresponding acid form in the inflow list. Adding the acid form did not result in a work-around. This has been corrected
  • The calculation of diffusivity in MSE failed by a divide by zero when there was no water present in the calculation. This was linked to the definition of the limiting value for diffusivity which was not developed for anhydrous systems. The definition will be revised, in the mean-time the code was patched such that it will not abort a run in this case but the values for diffusivity will be incorrect.
  • The structure of the DBS file was changed to allow for the water mutual solubility record for MSE 2-liquid cases.
  • The default thermodynamic framework is being reset to the AQ framework instead of MSE.
  • Engine was updated to handle changes to the database structure.This was to allow for estimation of organic solidities in water and water solubility in organics in the MSE framework.
  • The solver was upgraded to allow for calculations for all solid systems (such as systems below freezing temperatures)
ESP
  • DynaChem
    • Added the capability for suspended solids to be settled in a tank unit. This means that vapor prefers to exit the top of the tank, solid prefer to exit the bottom of the tank and liquid exit anywhere. Entrained liquid can now exit with the bottom of the tank with the solids.
    • The graphical image of the tank has been updated to show the build up of solids. The solids are colored gray.
    • Solid Level control has been added. You can now add a valved line at the bottom of a tank unit and control how much solid exists in a tank. The keyword for the controller is "SLEVEL"
    • Pressure control failed to work properly in some cases when a valve was controlled downstream of a tank. This was corrected.
    • Pump speeds were lost when only a single point was entered on the pump curve. This was fixed.
    • If the downstream node of a tank is also a downstream node of a pump, the pressure of the downstream node calculated from the pump instead of the tank.
    • The units for controllers were still set to molality. These were corrected to the current unit set of mole fraction.
    • The mole fraction or mass fraction of the total that is solid, liquid, vapor or second liquid has been added as a variable.
    • Suspended solids have been added to PIPE units in a similar fashion as TANKS
    • You can now display a tank and the unit display simultaneously without having to switch views
  • ESP
    • Rated based columns failed to initialize properly when the amount of gas was much larger than the amount of liquid. The tolerances for this initialization were changed to allow for a much looser initialization.
01.23.2009
8.1.01 Not Released Not Released 01.15.2009
8.0.60 General Release Engine
  • Enhancement: Reaction Kinetics have been upgraded to allow a user to supply their on FORTRAN subroutine. This will be supplied via a DLL. A sample DLL will be included in the release
  • Ion-exchange was disabled in version 7.0 because the activity model for the sorbed phase had not been converted to the mole-fraction basis. This has been reimplimented for version 8.0
  • Enhancement: A database change caused pH reconciliations to fail in the Analyzers because the iterative solver was forced to reduce a titrant past zero flow. A unified solver was created to reconcile pH and volume in a single calculation. Although this is not available in ESP it is essential for the operation of the Analyzers
ESP
  • Sub-cooled total condensers did not permit a negative temperature to be entered. This has been corrected although you still can not enter 0 C. User's are requested to enter a number slightly larger than 0 C (such as 0.001 C)
  • The Column code failed to properly select the correct mass-balance set when reaction kinetics were specified.
  • The multi-stage reaction kinetics hold-up time specifications were not displayed correctly to the screen (Although reported correctly in the BIN file). This was corrected
  • Enhancement: A single state column was added with all the features of the regular column (efficiencies, mass-transfer and kinetics). Set the stage number to a value of 1
08.21.2008
8.0.59 Not Released Internal Release 07.28.2008
8.0.58 General Release Announcing the release of 8.0 beta .Engine
  • The standard state enthalpy for pseudocomponents in MSE were not properly stored. This has been corrected. Also the extrapolated VLE equilibrium constant is now fit to a KFIT over the entire range. Previously this only occurred below 150 C and above 300 C
  • The pseudocomponent heat capacity in both the liquid and vapor phase has been updated. The temperature extrapolation is now smooth with no discontinuities.
  • The enthalpy extrapolations in temperature for organics have been updated to use a more simplified form of the Cp equation. This should fix cases were negative heats of vaporization are predicted at high temperatures
  • The model generator for reaction kinetics was updated to prevent unbalanced unknowns and equations.
  • Liquid density for pure components is now extrapolated beyond the critical point.
  • The databook was modified to allow the user to enter solid equations longer than 75 characters.
  • The line length for reaction kinetics was increased to 140 characters
  • Warnings about missing thermodynamic properties such as VREF were re-implemented in the model generator. They had been suppressed for the alliance products Hysys and Unisim.
  • A systematic approach was made to correct any uninitialized variables in the code base.
ESP
  • Enhancement The mass-transfer column was modified to become a single stage.
  • Enhancement The theoretical height of a packed stage can now be entered and the diameter automatically determined for packed columns.
  • A error in passing molecular flows from a subordinate model to the master model was fixed when using a separate block without performing any operations (such as creating a dummy block for recycles)
  • The Set Phase = Vapor option for a stream did not work for multiple models if the stream was pure water. This has been fixed
  • Changed the Membrane Unit Operation Block to accept (and stay accepted) Anion Control.
  • Enhancement A restart capability has been added. The process is saved every 15 minutes of elapsed (computer) time. This way if a crash occurs (such as a forced reboot during an operating system patch) your run is saved and can be restarted normally.
  • Pressing the <ESC> key should interrupt the block execution. Enter No for the Y/N question occasionally was not accepted. This was fixed
CSP
  • Unitialized variables caused the calculation of repassivation potentials to fail. These have been fixed
DynaChem
  • The suspended solids option did not stay set upon re-entering the unit. It automatically reset to fully suspend the solids. The entrainment value, if set was also set to zero. These options have been fixed.
04.29.2008
7.0.57 General Release Engine
  • The IN species plot variables from OLI/Express were updated to properly convert units from the native gmole/hr to mass/hr
  • The generator was updated to properly remove excluded redox species for large models. Previous versions only allows 90 species to be automatically removed. This was increased to 190.
ESP
  • Obscure error: An computation order error occurred when a block had multiple controllers attached to it and had a immediate downstream block with a controller attached. The controller on the second block was not computed. This has been corrected.
  • DynaChem Solids were not properly reported in the UNIT after a previous fix for plotting true versus apparent moles of water. This has been updated and fixed.
  • DynaChem ion-exchanging solids (SOL species) were not properly reported in the plot functions. These SOL species are now included.
02.05.2008
7.0.56 General Release The version number was updated to handel a change in the databases. No program changes were made 12.10.2007
7.0.55 General Release ESP
  • The Heat Exchanger block did not properly update the true-ionic species table when converting from apparent view if the Utility stream was set for specifying the discharge temperature. This is now fixed
10.02.2007
7.0.54 General Release All Products
  • A general enhancement to improve the speed of calculations was made. Some large cases may see a 4x improvement in speed
ESP
  • The block report for the feed forward controller was updated to remove stray information. The BRE and BST file were not properly read in MSE versions. This has been corrected.
08.27.2007
7.0.53 General Release ESP
  • MSE 2-liquid cases dropped the aqueous stream component when only a single stream was specified in a separate block. All phases are now included
  • MSE: A feature was added so you can specify which stream in a separate block will actually contain the "Organic" stream. With MSE, an ambiguity exists for non-aqueous streams when assigning the streams to the liquid and organic outputs. You can now specify the concentration of a species which will key the assignment of the streams.
  • The CalcAid for calculating transport properties has bee modified. The old 0 and 1 nomenclature has been replaced by Yes and No.
  • The component specification in the MANIPULATE block has been updated. The listing of the components is now independent of the model that created them. In previous versions, changing the model by adding or removing phases or species changed the inflow list and thus the component order in the block.
  • The Kinetics constraint option (Kf/Kr=Keq) is printed in the OUE file when running.
  • Heat and Mass Transfer correlations are now available for columns
  • The OUE file (TRACE File) was modified for columns with reaction kinetics. The units of extent were changed from lb-moles to g-moles and the units are now displayed in the file.
  • Errors could occur when using automatic reaction kinetics and multi-stage columns. If the reactive species had a zero flowrate, then a singular matrix could occur. The elimination of the zero content equations did not occur correctly during the reduction of the model size (an optimization technique). This has been corrected.
  • Automatic reaction kinetics was updated such that if two reactions had the same reactive species, only one inflow was created. In previous builds a stray second inflow species was created with a new material code which had no corresponding species.
Engine
  • MSE: Vapor viscosity has been added.
  • All versions: The scaled activity coefficient has been corrected to real basis. The activity coefficients reported in the various output routines are the real activity coefficient and not values scaled for water.
  • No transport properties are calculated when the stream is detected to be all vapor
  • The scaling factor on the activity coefficients for the mole fraction based calculations has been removed. Now the printed activity coefficients match exactly the values used inside the computation.
  • The chemistry model generator has a new option under Solids to exclude solids based on their temperature range. Those solids excluded will not have their scaling tendency or actual solubility calculated in the model.
  • MSE Scaling tendencies for solids scaling only were off by 55.508^2 which was a scaling factor in the reduced equilibrium constant. this was fixed so the scaling tendencies are the same.
  • ProChem/DynaChem The value for H2O in the Plot File was changed to mole fraction on a true-species basis.
Security
  • Network
    • An option was added for checking licenses out from a network installation. Commonly referred to as a commuter option.
  • Downloads
    • New versions of the software that can be downloaded can be locked to a specific build number. This is so users of perpetual licenses can get replacement copies of the software
 
08.08.2007
7.0.52 General Release Engine
  • MSE Pseudocomponents were modified so they extrapolate to very high temperatures (> 750 C)
05.16.2007
7.0.51 Not Released This version was not released 05.10.2007
7.0.50 General Release ESP
  • A check has been updated for when multiple controllers are downstream of a block that also has a downstream TEAR stream. Previous versions would converge the TEAR but not update the Not Converged flag. Thus the simulation would continue indefinitely. This has been fixed
  • The units for DUTY in a sensitivity block were incorrect. The unit was energy instead of energy/time.
Engine
  • All executable files are now associated with resource files. This will users to determine the version number and modification data of all executable files
  • Equation line lengths were increased from 60 characters to 140 characters to allow for fractional stoichiometric coefficients.
  • Petroleum Fractions and Assays were modified in MSE to match actual distillation data. Errors in the predicted GREF were observed and corrected.
    • MSE
      • VLE and Solubility data was generated from the MSE database and fit against Temperature, Pressure and composition. Correlations for GREF's and interactions parameters were fit against molecular weight and density.
    • AE (traditional model)
      • VLE and Solubility data was generated from the AE data base and fit against temperature and pressure and composition data. The SRK-KD (Khabadi-Danner) term, originally a constant, were fit against molecular weight.
04.25.2007
7.0.49 Not Released This version was not released. The version numbers were updated to match the Analyzer Build cycle. 04.19.2007
7.0.48 General Release Engine
  • The vapor phase enthalpy was not properly calculated when vapor phase reactions were detected. Such reactions could involve a dimer such as FORM2. This only occurred when a second liquid phase was also present. This has been corrected.
  • Gas phase Thermal Conductivity and Viscosity have been added as properties. The following vapor phase properties were added to the databook to support these calculated properties
    • Dipole Moment
    • Number of carbon rings
    • Atomic volume (calculated by chemical formula and the number of rings if left blank).
ESP
  • A developmental unit operation was accidentally released in previous versions. This was a surface complexation block. The block was added without any supporting code base. The icon has been removed from the program.
  • Default values were added to the MSMPR Crystallizer block. These values are:
    • Area Shape Factor (ka) = 3.142
    • Volume Shape Factor (kv) = 0.523
    • Distance Between Crystal Sizes = 2.0 microns
CSP
  • The FORTRAN code was not consistent with the Analyzer code. It was upgraded to match the Analyzers.
SECURITY
  • HARDLOCK:
    • 64-bit drivers for Microsoft Windows Vista are now included in the install set
    • Hardlock Installation Failure: When a failure occurs, the Hardlock Reset button now becomes the Hardlock Repair button and launches the batch files to update the hardlock drivers. This frequently occurs when upgrading from a Timelocked version.
  • NETWORK:
    • Vista does not permit the broadcast of server names. Users will have to specify the server name or IP address in the client security settings.
02.01.2007
7.0.47 General Release ESP
  • The separator block was not properly splitting the phases in an LLE MSE case.
11.17.2006
7.0.46 General Release ESP
  • Screen definition files were inadvertently left out of the program for the Clarifier Unit Operation. Only simple clarifier calculations could be specified. The required files have been added back into the program
  • Multi-stage unit operations did not properly calculate the enthalpy of a pump-around side draw if a temperature specification was set. This has been corrected
  • Addition of new feature to predictably calculate mass-transfer coefficients for packed-columns. This is an add-on to the exiting unit operations
  • Added the ability to supply a user added subroutine for calculation of mass-transfer coefficients for columns. The default estimations are based on Billet and Schultes 1993
Engine
  • Initialization of the solver incorrectly set a bad temperature if a second-liquid was detected. This frequently caused the initializer to fail and the case was unconverged. The initializer has been modified such that the temperature is not adjusted if a second-liquid is detected. This results in a better initialization.
  • Added a facility to constrain forward and reverse rates of elementary homogenous reactions using the equilibrium constants (i.e., Keq = kf/kr)
11.16.2006
7.0.45 Not Released   11.09.2006
7.0.44 General Release ESP
  • Mass-transfer limited columns misreported the phase designation in the MISC PROFILE report. The aqueous phase was reported as an organic phase when it was not so.
  • BIO the ESP Trace File (OUE extension) used the wrong unit for bio-reactor volume. The unit is actually m3 but is reported as Liters. This has been corrected
  • ProChem/DynaChem by default Electrical Conductivity, Viscosity, Diffusivity and Heat Capacity are not calculated to save time. The user can add the the keyword PROPERTY to the DIN file to add the following properties to the calculation: ELEC, VISC, DIFF, CP. These will then be calculated. Only ELEC,VISC and CP (as CPAQ) will be saved to the plot file. This will add significant overhead to the calculation. The DynaChem input screens can not be used to modify these values but the screens will not overwrite this data if present
  • Multi-stage unit operations were improved to handle Oxidation and Reduction equations. Occasionally the equation set became ill conditioned.
  • Reaction Kinetics units output were changed from RATE=mole/hr to RATE=mole/hr/hr and Extent of reaction (EXT) changed from mole to mole/hr. Volume in the OUE file was changed from L to L/hr
Engine
  • SRK root finder was improved to protect against false vapor roots.
  • Gibb's minimization initializer did not mass balance. If the case solved to an all vapor case (with any equilibrium calculation) the result reported also did not mass balance. The Gibb's initializer now mass balances.
  • Reaction Kinetics The line length for STD and SPEC parameters was increased from 82 characters to 160 characters. The continuation designator "+" was reimplimented in case line lengths exceed 160 characters. Multiple continuation lines are supported
  • The Gibb's Free Energy Minimization Initialization routine failed to mass balance if the result was all vapor. This has been fixed
  • When performing a survey for a pure component, such as the boiling point pressure of pure water v. Temperature, a flag was incorrectly set to suppress initialization. This resulted in an all vapor point. This flag is now correctly set.
  • Dew Point calculations are now set such that VFRAC = 0.999999 instead of setting LIQMOL to 1E-10 moles. When LIQMOL was set, only the "Aqueous" phase was formed. If an organic phase was heavier than the water phase, then it completely formed first and then the aqueous phase. Not a true dew point.
09.05.2006
7.0.43 General Release Engine
  • A line length limitation was discovered when using private databases. The default installation of the OLI databases resulted in the path being longer than 80 characters for some databases. These databases were then improperly parsed. This has been corrected
  • OLI Security module updated to allow for 64 bit operating systems.
  • Gibb's Free Energy of Minimization Initialization was enhanced to protect against multiple root answers.
07.08.2006
7.0.42 General Release Engine
  • New UNIQAC parameters were added to the MSE model and databank. These are in the INTERACTION section and are designated with the EXT-UNIQ keyword. The added parameters are:
Q3IJ = T * log (T)Q4IJ = T*T*T
  • A mid-level of security for the databases were implemented. This mid-level security allows the reference state properties to be displayed in the databases and the LOC files in the Analyzers.
ESP
  • Version number updated to Match Engine
06.20.2006
7.0.41 General Release Engine
  • The Mixed Solvent Electrolyte (MSE) Public (MSEPUB) and the aqueous PUBLIC databases have been updated. Support for MIXSOL (the hydrogen ion MSE database) has been dropped
ESP
  • Version number updated to Match Engine
05.31.2006
7.0.40 General Release Engine
  • The maximum number of pseudocomponents was increased from 50 to 100.
  • MSE A check for the presence of a "Water-rich" phase (usually referred to as the aqueous phase) was based on the activity of water being above 0.8. This caused dual answers for phase behavior depending on the initial value for water activity. This check has been removed and now the amount of dual answers for phase behavior has been reduced.
ESP
  • Crashes occurred in this development version when creating the spreadsheet output (CSV). The program attempted to delete files that did not exit. This has been fixed
  • The number of pseudocomponents that can be considered has increased from 50 to 100.
  • Database was updated, see Database release notes:
05.11.2006
7.0.39 Agent Only Release Engine
  • MSE Initializer enhanced for all solid cases
  • MSE Pseudocomponents and Petroleum Assays now enabled for use with the Mixed Solvent Electrolyte thermodynamic model
  • Regression has been updated to simultaneously regress 100 parameters. The line length in the data records have been increased to 150 characters.
  • Fugacity A small error was found in the SRK predictions for water. This caused the saturation pressure calculation to be off at high pressure. The program uses the gibb's free energy from the water equation of state (Haar, Gallagher and Kell, NBS 1982) rather than the SRK fit.
  • MSE The Cp calculation occasionally failed to properly set the phase condition when a stream was a single phase. The phase condition is now properly set.
  • Toolkit The thermodynamic values of Gibb's Free Energy and Entropy for every species in each phase can now be displayed in ESP. A option switch has to be turned on to see the information. This does cause a small increase in run-time to calculate this parameters.
ESP
  • Cases could fail to report streams properly if the entrainment calculation was infeasible. For example, if an organic phase was to be entrained into a vapor stream when no vapor existed, the program would crash when reporting. A check has been added to test for this impossible condition.
  • Importing of streams from other BIN files did not work correctly in the v7.0 series. This has been fixed.
  • The thermodynamic values of Gibb's Free Energy and Entropy for every species in each phase can now be displayed in ESP. A option switch has to be turned on to see the information. This does cause a small increase in run-time to calculate this parameters.
04.06.2006
7.0.38 General Release Engine
  • Database: Carbon was left out of MSE. It has been Added
ESP
  • Tear/Recycle stream calculation: The Newton method has been improved to handle cases that have very small purges with very large recycle flow rates. The acceleration was damped in previous versions and very small changes were made. The improvement adjusts the dampening according to the change made. If the changes in the recycle guess are small, then the dampening is reduced.
02.22.2006
7.0.37 Not Released Engine
  • ProChem/DynaChem Automatic kinetics added to match the capability in ESP. A volume term was added to the rate to account for the residence time in TANK units and PIPE units. The default rate value is mol/hr but the rate constant has reciprocal volume units.
  • Model Generation Automatic kinetics were updated such the key reactant now has a fictitious material code added to the species. This allows for a material code change across the reaction as required by the kinetics code.
ESP
  • The solid kinetics feature was changed. Since the model generation of solid kinetics has been changed, there is no need for a separate data entry screen to enter the amount of reactive species. The inflow value is assumed to be the reactive species.
  • CSP Pourbaix diagrams occasionally did not display the correct "Contact Surface" when selected. This occurred when the MSE Public database was installed. Material codes from the MSE database conflicted with material codes in the standard database and those conflicts resulted in an incorrect diagram. This has been resolved.
  • ESP Recycle/Tear streams that have zero flow may cause an access violation. This bug has been corrected.
02.14.2006
7.0.36 General / Update Engine
  • General update to security to improve licensing options
  • Regression: Numerical derivatives had been added for individual data sets but was not included as a global option. This has been corrected.
ESP
  • To protect against a run-time crash of OLI/ESP a time-out was implemented which will log-out the user from the OLI network security provider. This check was also implemented in stand-alone versions.
  • A security failure can occur with a unit operation that takes a long time to converge (several minutes). This can occur with a large model (many solids) and / or with the second liquid phase enabled in multi-stage units. The security provider assumes that a crash has occurred and logs out the user. When the unit finishes, security is not enabled.
  • A patch has been created which will check to see if the security process is still running before logging out the user. Please download the OLI Security Patch from the support temporary file web site: Temp Files This patch only applies to this version and build number. Later builds have this patch included.
  • Memory access violation for some types of multi-stage columns when using Spec and Control has been fixed.
  • BIO: The Databook and Search action items have been removed. They were never implemented.
  • A check has been added to prevent a user from specifying a "Solid Only" stream when a specified solid does not appear on the solids list. This also applies to cases where no aqueous phase appears and all the species are solids.
  • MSE: The two-liquid check flag was not properly reset after the first block was calculated. This resulted in two-liquid cases being forced into a single liquid scenario. This usually failed to converge. The file BLMAIN.EXE has been updated.
1.27.2006
7.0.35 General Engine
  • Version number updated to be consistent with ESP
  • The database was updated with a version number. This will be similar to the product version number. It will be displayed in the OLI/Databook and in the DBS file.
  • The model generator was updated to allow the MULTEQ database to be properly used.
  • (MSE) The problem of multiple root in LLE simulations has been corrected.
  • Regression Sublimation has been added to regression
  • Regression Partial molar heat capacities and densities have been added as variables that can be regressed. Also, they have been added to the report.
  • Regression Reporting improvements have been made, i.e., deviations are now reported separately per data set, the number of significant digits has been increased in cases when it was too small, and CSV files are stored from a preceding iteration.
ESP
  • Modified mass-balance equations in multi-stage unit operations (columns) when REDOX was enabled. Columns occasionally failed to mass balance with REDOX.
  • Numerical cut-off check (eliminating small concentration species) was modified in multi-stage unit operations when REDOX is uses. Small concentration species are fully considered until the column is converged.
  • The patch file BLMAIN.EXE has been uploaded to the temporary files section of the web site. This file is to be installed in the C:\Program Files\OLI Systems\ESP 7.0\System folder.
12.21.2005
7.0.34 General Engine
  • Error checking for petroleum assays and pseudocomponents have been enhanced to prevent null or zero data from being entered into the chemistry model.
  • Regression - A min/max function was added to User Defines in the Chemistry model to return a boolean expression if out side a min or max range.
  • Added the ability to calculate solid-vapor equilibrium. Available only in ESP with MSE. The "Solid-Only" option in Set Phase is no longer required.
  • The Gibb's Initializer is now available for MSE models. Speed increases have been measured of over 8x for very large models.
ESP
  • Version number updated to match OLI/Engine.
10.18.2005
7.0.33 General Engine
  • The maximum number of species was increased to 3000 species. Previously the practical limit was 1000
  • Vapor = Vapor equilibrium now supported in the MSE Framework. This only occurs when the liquid phase is not present.
  • New initializer was created to populate the equation set. No longer makes the assumption that no vapor or solids phases were present.
  • MSE Solver updated to automatically re-write equilibrium equations when water is not present in the calculation. Previously, a small amount of water had to be carried in the calculation to prevent singular matrices from forming.
  • The solver was updated to calculate Alkalinity in a similar fashion as ScaleChem. This will be available only via the Analyzers 2.1.x series.
ESP
  • Added the ability to control on scaling tendency.
  • The LLE Extraction column was dimensioned for a small number of species. This was increased to the same number of species as the standard columns.
10.05.2005
7.0.32 General Engine
  • No updates
ESP
  • The unknown variable of Temperature in the Wegstein Recycle Loop algorithm was replaced with the unknown variable of Enthalpy.
  • The recycle convergence algorithms frequently spent excessive recycle iterations for material codes that have very small concentrations. A new option was added to Recycle Options. The Trace Mole Fraction Limit option was added. The default value is 1.0E-06 mole fraction. This is the tolerance between to successive iterations. It can be increased for difficult to converge cases. The values are updated on all iterations.
  • The Options > Change Directories… action has been upgraded to start in the currently selected folder. The user can then browse to a different folder without starting at the root folder of the computer. Also, the ability to add a new folder has been implemented. This is only supported under Windows XP.
  • An uninitialized variable in the temperature dependent data entry for Biotreatment was fixed. This allows users who used Arrhenius kinetics to switch to the new method. Also, the chemistry model generator was modified to prohibit using this new function. This function can only be used in the unit operation.
 
7.0.31 General Engine
  • No updates
ESP
  • The ability to enter actual temperature dependent bio-reaction maximum specific growth rate data and decay data has been implemented. This data, used instead of Arrhenius kinetics, is fit to a spline for temperature interpolation. The ability to use Arrhenius kinetics has been retained.
  • Scaling tendency predictions for solids set to Scaling Only was only an estimate. Large differences from the actual scaling tendency and the Scaling Only value were apparent at temperatures other than 298.15 K. The estimate for Scaling Only solids has been improved using the Helgeson Equation of State for solids that do not contain a KFIT.
 
7.0.30 General Engine
  • Scaling tendency for non-active solids are now rigorously calculated. Prior to this build, the scaling tendencies for non-active solids without KFIT’s were estimates.
  • Improved robustness of sublimation / salt point calculations
ESP
  • A new TEAR stream restart file was created. This file has the extension TEA. In some difficult to converge cases, more significant digits were required to restart a TEAR stream than were saved in the BIN file.
 
 
7.0.29 General Engine
  • No Updates
ESP
  • Fixed TEAR stream selection when energy transfer blocks are used. Previously such possible TEAR streams were not included in the selection.
  • Updated the calculation order algorithm when energy transfer blocks are used.
  • The TEAR stream graphical display will now display the active TEAR stream instead of the selected stream.
 
7.0.28 General Engine
  • Improved equilibrium calculations for systems with multiple competing hydrates
ESP
  • No Updates
 


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