General

1. The number of significant digits displayed in the blocks and streams has been increased.
2. 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.
3. The user can now specify the key component in a stream to determine if it is a liquid or aqueous stream.

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.

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

KF=KR*KEQ and KR=KF/

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.

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

General

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

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

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.

General

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

General

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

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.

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.

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.

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

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

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”,

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.

Engine

• Solver
  • The new property Standard Ideal Liquid Volume has been added to the solver

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.

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.

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

• 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

• The databases were updated for this version. See Release Notes 8.1.9

• 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.

• 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

• DynaChem
  • Two newly added screens were missing from the previous build for DynaChem. These are now included
  • The DynaChem plot program was updated

• 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

• The database was updated for this release. See Database Release Notes
  

• 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)

• 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.

• 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

• 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

• 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.

• 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

• Unitialized variables caused the calculation of repassivation potentials to fail. These have been fixed

• 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.

• 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.

• 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.

• 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

• A general enhancement to improve the speed of calculations was made. Some large cases may see a 4x improvement in speed

• 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.

• 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.

• 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.

• 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

• MSE Pseudocomponents were modified so they extrapolate to very high temperatures (> 750 C)

• 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.

• 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.

• 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).

• 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

• The FORTRAN code was not consistent with the Analyzer code. It was upgraded to match the Analyzers.

• 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.

• The separator block was not properly splitting the phases in an LLE MSE case.

• 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

• 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)

• 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

• 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.

• 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.

• 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.

• Version number updated to Match 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

• Version number updated to Match 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.

• 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:

• 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.

• 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.

• Database: Carbon was left out of MSE. It has been Added

• 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.

• 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.

• 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.

• 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.

• 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.

• 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.

• 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.

• 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.

• Version number updated to match OLI/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.

• 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.

• No updates

• 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.

• No updates

• 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.

• 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

• 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.

• No Updates

• 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.

• Improved equilibrium calculations for systems with multiple competing hydrates

• No Updates