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Database Release Notes

The current release notes for the OLI Database covering both the standard and MSE frameworks.


Return to Support Center Last Updated November 2, 2017

Notes

Click here for a current listing of the database components

Click here for the current database internal version numbers

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

General

  • Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes
  • The reference state volume (VREF) was added for many solids in both PUBLIC and MSEPUB
  • The following files detail the exact changes in the databanks from version 9.3.3 to 9.5.4. The AQ version of the Corrosion Database and the AQ version of the GeoChem database had no changes.
October 05, 2017
Bug OLI Case Description Reported By Resolved By
3127 12483

CaBr2 not fit for MSE

Added by the data team

User (Texas, USA) JL
3437 14225

Species SrSO3 has a TRANGE but no KFIT (PUBLIC)

Removed temperature range

User (Texas, USA) ML
3692 14123

Please remove the Lithium Sulfate from MSE model, since we do not have any interactions for Liion and SO4ion. A user reported weird specific electrical conductivity results shown by Studio 9.2.7 for this particular system.

Chemistry updated as part of a larger project.

User (Ohio, USA) ML
3750 14234

Missing VREF for CaSO3.2H2O

VREF updated. In fact, all solids which were missing VREF data were either updated from literature or estimated.

User (New Jersey, USA) ML
4581 15910

There are two geochem species SrSiO3 and CaFe2O4 (there may be more…) that don’t have mineral names and I cannot find a mineral identity for it on the web.  If these are not truly minerals, then might we consider transferring these and other non-minerals from Geochem database to the public database?

Added LOLN name for SrSiO3 as Strontium metasilicate and for CaFe2O4 as Harmunite

User (New Jersey, US) ML
4585 15929

Ringwoodite is in the database as Fe2SiO4.  According to the website below, ringwoodite is a Mg2SiO4.   The Fe-analog of this mineral is reportedly Ahrensite, again, according to this mineral data site.

Mineral name changed to Fayalite

User (New Jersey, US) ML
4591 15935

In AQ_FW, Ethyl acetate is allocated to DEGEEACET as synonym and not EACTAT. This must be a bug of databank

Eliminated ethyl acetate as synonym

User (Japan) ML
4594 15952

Themineral name for Al(OH)3 in both PUBLIC and MSEPUB is designated as bayerite (LOLN). However the reference state thermo actually stored is more closely aligned with gibbsite

Changed LOLN name (mineral name) to Gibbsite

User (Washington, US) PW
4647 16169

AQ: TRANGE present for SrCO3 but no KFIT. Should be removed.

Removed temperature range (TRANGE)

User (Texas, USA) ML
   

 

   
9.5.3 General Release ALL

General

  • This is a major update to the databanks since May 2016
  • Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes
  • The following files detail the exact changes in the databanks from version 9.3.1 to 9.5.3. The AQ version of the Corrosion Database and the AQ version of the GeoChem database had no changes. 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 OLI Case Description Reported By Resolved By
3221  

There are two Chamosite compounds in the databank in GE-MSE. One is under the name CL7A and other is under the name Chamosite. Also in Analyzer when you type in Chamosite, CL7A shows up.

Resolved entry so they are unique.

OLI ML
3701 14156

CAS number for DMEXHHCL is incorrect. The CAS number entered for this species is 2698-25-1 Literature sources have it at 2498-25-1

Updated to the correct value.

User (Texas, USA) ML
3736 14202

The software is computing that NH4OH is about 5-7 times more soluble than NH3 in the hydrocarbon phase.

Prodip was implementing the correlation for pseudo component/NH4OH(aq), he tested his implementation with the private databank later (for mixtures with both real HC and pseudo components). 

User (Illinois, US) PK
4045 14831

H2S fugacity error at high pressures.

Regressed as part of hydrocarbon refit

User (US) PW
4065 14875

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
4075 14920

We are working with solution that contains dissolved NaCl, Ca, S, and Sr.
While adding CO2 to the solution we noticed that the Scaling Tendencies

(STs) of SrSO4 and CaSO4 significantly increase. We looked into this and it seems that the most important driver for this is the increase of the Sr and Ca activity coefficients

Interaction, especially with respect to temperature, for Sr++/CO2 was too large. Revised to be more reasonable.

User (Netherlands) PW
4087 14895

Absorption constant for Se on iron oxide surfaces seems to be inconstistent.

I checked the SCDLM and PUBLIC and confirmed that the sorption constants for the two surface complexation reactions were taken from Dzombak & Morel (1990, page 222). These values of binding constants from Dzombak & Morel were apparently consistent with a log K value of 1.7 for the solution equilibrium constant for SeO4-2 + H+ = HSeO4- (page 192 of Dzombak book). A brief check using the Gref’s from PUBLIC databank for SeO4-2 and HSeO4- shows that the OLI AQ model yields a log K value of 1.9 (at 25C). It is this difference in solution equilibria that causes the difference between the calculated sorption curve and the experimental data.

To improve the results of predicted sorption, it is necessary to analyze the experimental sorption data and determine the binding constant that is consistent with the solution equilibrium constant.

Agent (Japan) PW
4117 15002

Viscosity of C40 compound is calculating as zero, total viscosity is the same as H2O.

Viscosity data revised (ML)

User (US) ML
4143 15035

MSE: Interactions for CH4 in CO2/H2S solutions seem to be incorrect.

First of all, there was a major bug in the thermodynamic interaction
parameters involving methane. The extremely strong variations with pressure of the solubility, fugacity, and pH in the mixtures containing CO2 were a manifestation of incorrect MSE model parameters for the CO2-CH4 pair. This has been now remedied via a careful re-analysis of the experimental data to determine appropriate parameters.

Agent (US) PK
4209  

New H2S-Hydrocarbon interactions were developed. This means a correlation has to be developed and implemented for pseudocomponents.

Peiming Wang and Prodip Kundu updated interaction parameters and then created correlations. This was updated for the engine.

OLI PW, PK
4247 15184

The VREF for KMgCl3.6H2O is entered as 0.0028 m3/mol in MSEPUB. This converts to a solid density of 0.992 g/cm3.

Some quick literature data reports the solid density between 1.598 and 1.602 g/cm3

Volume resolved by data team.

User (US) ML
4290 15281

Activity model for Li2CO3 does not extrapolate well
in concentration, Causes double-roots

Interactions between lithium ion and carbonate ion were too strong. They were adjusted to better match user experience

User (Canada) PW
4354 15392

Interaction with CO2 and CH4 under high pressure conditions seems to be in error.

Resolved by data team. PW regressed data for for C1 in many systems.

User (UK) PW
4355 15384

Calcite scaling tendencies in MSE trend opposite to AQ

This was resolved by the regression work of PW for CO2, C1 in HC

User (UK) PW
4528 15797

Please fix the formula names to include the n- and i- so the user can distinguish between C4H10 and C4H10.

Updated form names for C4H10 and C5H12 in both MSE & Public to be Isobutane = i-C4H10 n-butane = n-C4H10 Isopentane = i-C5H12 n-pentane = n-C5H12

User (US) CD
   

 

   
9.5.2 General Release ALL

General

  • The databanks were not updated for this version. All contents found in version 9.3.1 are included, see below.
December 16, 2016
9.5.1 Not Released ALL

General

  • The databanks were not updated for this version. All contents found in version 9.3.1 are included, see below
  • This was not released due to a bug in the numerical solver.
December 01, 2016
9.3.2 General Release ALL

General

  • The databanks were not updated for this version. All contents found in version 9.3.1 are included, see below.
July 21, 2016
9.3.1 Not Released ALL

General

 

July 21, 2016
Bug OLI Case Description Reported By Resolved By
3325 12936

The MEG density does not changes as a function of pressure. A case that was run with pure ethylene glycol and from 1 to 500 atm and the density remains the same.

Density updated with pressure dependence

User (Australia) ODT
3531 13508

Data development to complete transition ScaleChem to OLI Studio ScaleChem in MSE

Remaining missing species added

Agent (US) JL
3584 13833

These two components are present in gas condensate wells, but are not in the MSE database

Methylcyclopentane
Methylcyclohexane

They are not critical, but are worth adding to a long-term wish list. 
They are GC measureable, so they are worth reporting.

Species Added

Agent (US) JL
3781 14325

Missing VREF for Na2CrO4.10H2O.

VREF added to MSEPUB for all related solids

User (US) ML
3789 14325

AMIIIOH3CR solid is missing a Vref value in the MSEPUB databank

COIIIOH3 solid is missing a Vref value in the MSEPUB databank

Missing VREF's added to MSEPUB

User (US) ML
3864 14520

Molecular weight Error for species HOSIO3HFO2CPI in SCDLM databank.  The value entered is 215.812.

The correct value should be 164.939.  This is confirmed by checking against the entered equation and MATC values.

Updated molecular weights

User (Canada) ML
3905 14594

IUPAC name for TRICONTAN is incorrect. Currently the name is Tricontane and it should be Triacontane.

Species name changed

User (US) PW
3927 14621

The NaClO inflow is not part of MSE.  It is an inflow in AQ.  I think the product bleach is common enough to justify adding this inflow to the database.   Please ask the data developers if this is OK.

Inflow only data added

Agent (US) PW
   

 

   
9.2.8 General Release ALL

General

  • Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes
  • The MSEPUB databank had many inflow only species for which the databank did not support the full chemistry. Please see the database release notes for the removed species.
  • The following files detail the exact changes in the databanks from version 9.2.6 to 9.2.8 (there was no databank update for 9.2.7)

 

February 03, 2016
Bug OLI Case Description Reported By Resolved By
3505 13682

“AlNO3-literature data ” where the solubilities of Al(NO3)3 in nitric acid solutions are compared to OLI predictions in MSE. Teh results are not good.

Interestingly, AQ gives a reasonable prediction while MSE predicts no solids precipitation. This is probably another indication of the problem.

This system was regressed to available data

User
(US)

JL

 

3529 13682

This system does not seem to have been regressed.  When performing a solubility of Al2(SO4)3 calculation v. H2SO4 composition there is a hook in the solubility curve at 25 C but not at 26 (or higher) temperatures.

The data system was regressed and validation plots created.

Agent (Japan) JL
3540 13714

The system Al2(SO4)3 - H2SO4 - H2O shows salting in effects when salting out is expected

this system was regressed to available data

Agent (Japan) JL
3704 14157

For the species TEA.HCL (TEAH2CL) has an invalid melting point causes the program to predict two phases (vapor and liquid) for the pure component above the meltint point.

The melting point of TEA.HCl was significantly overestimated. This happened because the experimental data for the solubility of TEA.HCl extended over a rather narrow range of temperatures and the melting point was not constrained. With the revised parameters, the SLE curve correctly terminates at the melting point:

User PW
   

 

   
9.2.7 Not Released ALL There was no update to the databanks for this version November 30, 2015
9.2.6 General Release ALL

General

  • Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes
  • The following files detail the exact changes in the databanks from version 9.2.4 to 9.2.6
October 20, 2015
Bug OLI Case Description Reported By Resolved By
3326 12929

Inconsistent phase behavior (as compared to
Peng-Robinson) for CH4 systems at high pressures.

CH4 was revised for high pressures and then fit against all other major salts and hydrocarbons. Then interactions between CH4 and Pseudocomponents were developed.

user RS
3612  

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
3629 13842

SrSO4 solubility in MEG is underpredicted

Peiming has identified the problem. In the original MEG work we did not have Sr in the scope of the project.  What she found is that the Sr-MEG
interaction was based on the Ba-MEG interaction.  In time the Ba-MEG interaction was updated but the Sr-MEG was not (not in scope).

Sr-MEG was updated

User PW
   

 

   
9.2.5 Not Released ALL No product was released for this version September 21, 2015
9.2.4 General Release ALL

General

July 10, 2015
Bug OLI Case Description Reported By Resolved By
2420 10068

A case has two surveys. Both with NH3 but one with H2S and one without. The concentration is very small for H2S but the two plots are dramatically different.

A case history

Part I

After a preliminary investigation by Jim Berthold (OLI) and Peiming Wang (OLI), this has turned out to be a solver issue. Bob Young (OLI) and the solver team are currently working on it. This seems to be a difficult case - there are two solutions with a very similar total Gibbs energy and the solver is having a problem differentiating between these two. Originally, this looked like a thermodynamic issue but this does not seem to be the case.

Part II

Peiming Wang (OLI) [a thermophysical modeler] and the solver team have completed the investigation. First of all it was found that for this system there is an initialization problem. There may be different results depending on the condition of starting point. The main reason is that the total Gibbs free energy of the system is very close for two different solutions (with two different solid NH4NH2CO2 and NH42CO3.1H2O respectively) at certain temperature. The percentage of difference is about 3-4% and it is around the tolerance of the Solver. Therefore we decided to temporarily force the Solver to use the Initializer for each point in the survey rather than taking the previous result as the initial. By doing so we obtained consistent results.

Then the phase behavior of this system was investigated. We can reproduce what the client observes. With small amount of H2S two solids, NH4NH2CO2 and NH42CO3.1H2O are formed, and at certain conditions, one solid, NH42CO3.1H2O suddenly disappears and the amount of solid NH4NH2CO2 formed increases at the same time. It seems those two solids compete and NH4NH2CO2 prevails and the monohydrate then vanishes. We have also found that the interaction between NH4ION and HSION is strong and the concentration of NH4ION in this system is relatively high. That may explain why with small amount of H2S, activity coefficients change a lot compared to without H2S.

Peiming Wang has also reviewed the validation plot of system of NH3-CO2-H2S. She found that the temperature, pressure and concentration condition of the case we investigate are covered by the range of regression data points though there are not too many experimental data points available in low temperature range, and the regression results do reasonably represented those experimental data. Based on those, we may conclude that this is what the model can do. Peiming may have more detailed explanation on the regression results.

The question is, in the Solver, should we permanently keep the approach of "force the Solver to user the initializer for each point" for this particular system? To the Solver, this system seems to have a double solution. At this moment, we don't have a better solution in my mind if we address a permanent fix for the Solver on this.

Part III

I have a plan to resolve this issue through revised thermodynamic regressions. Although the experimental data are reproduced very well for all relevant subsystems, it seems that the choice of thermodynamic parameters was sub-optimal for the binary system NH3-H2O. Although I do not have a hard proof, I suspect that this may cause numerical problems in multicomponent systems. So, we need to revise the system NH3-H2O.

The downside of this approach is that there is an awful lot of systems containing NH3, which will need to be revised if the parameters for NH3 are changed. This will take an appreciable amount of time. In a way, this would be similar to the revision of hydrocarbons, which we have just started.

Part IV

This is resolved after the ammonia work has been completed.

User PW, JB, RDY, RS, ODT
3060 12276

Species in OLI Studio ScaleChem AQFW not present in MSE

The missing expanded ScaleChem Standard gasses were added in previous versions to OLI Studio ScaleChem's template

C2HEXENE
MEPNTAN224
TETRACONT
EFORMAT
BUTYLFARMT

Agent ML
3247 12864

Solid appears in species output (ZnS) but does not appear in Scale Tendency table

This is fixed in 9.2.4. The TRANGE was updated in an earlier version

User ML
3323 13059

K=Y/X for Acetic Acid in Heptane seems to be too low in OLI/MSE as compared to a literature value.

Data team updated the interactions for acetic acid (and formic acid) with hydrocarbons.

User JL
3516 13649

There are no SRK estimated parameters for pseudocomponents for MSE.

SRK parameters were added for PC's

User PK
3546 13723

The CMPLEX databank contains 4,965 species all at 25 C  using KFITs.  This is based on the stability constant book of Smith and Martel.  Since this is limited to only 25 C data it is recommended that it be removed from the installation set.

The databank is no longer included with the software.

Agent CD
   

 

   
9.2.3 General Release ALL

General

May 5, 2015
Bug OLI Case Description Reported By Resolved By
3218 12800

A solver error occurs because the ASNM record for FEIIICL2ION in the MSEPUB dabank is FECL2+2. It should be FECL2+. This is also true in PUBLIC.

Tested in 9.2.1 and this issue has been resolved for both MSE and PUBLIC.

User CD
3362 13152

Crash in Exchange database with longer names:
Aniline is causing a crash.

Indexing issue corrected

User CD
3363 13151

MEG partitioning into condensate phase is incorrect

CO2-MEG & Hydrocarbons updated

User RS,PW
3381 13217

The SrSO4 is celestite.  It is Celestine in the software.  

Mineral name update: celestite (SrSO4)

Agent ML
3420 13356

two species in the GEOCHEM and GEMSE databanks have the same chemical formula and LOLN record. The OLI TAG (ESP) names are:

CASIO3
PWOLLAST

Both have the chemical formula of CaSiO3 and the same LOLN record of Wollastonite.  The LOLN record in OLI Studio are used to help define solids in the interface so these should be unique.

the IUPA records for each species are

CASIO3: IUPA = wollastonite
PWOLLAST: IUPA = pseudowollastonite

GEMSE (geochemical) databank:
      Mineral name update: Pseudowollastonite (CaSiO3)

GEOCHEM databank:
      Mineral name update: Pseudowollastonite (CaSiO3)

 

Agent ML
3421 13358

VREF is missing for ALNO33.6H2O and ALNO33.9H2O in MSEPUB.  These missing values return a zero density when displayed in the OLI Studio report.

Similar missing VREF's are missing for the ALNO33 hydrates in PUBLIC.

Al(NO3)3 hydrates: corrected solid volumes

Agent ML
3426 13392

Add MEG as a synonym for ethylene glycol so it is properly searched in ChemWizard and Studio

Synonym MEG added

User ML
3431 13398

The Component search form MSE shows H2Cr2O7 as H2CrO7. 

CHEM name in public changed to H2Cr2O7

Agent CD
3463 13382

FEATURE: Add hydrocarbon abbreviations to the
databank.

Synonyms for C1 to C20 added to databank

Agent ML
   

 

   
9.2.2 General Release ALL

General

  • The databank was not updated for this version. It remains the same as for version 9.2.1
12.15.2014
Bug Description
3353(13152)

Exchange database error:

The equation HANILINEION=HION+ANILINEAQ uses ANILINEAQ, however ANILINE in the DATABANK is an inflow only so there is no AQ phase so this appears to be a databank issue. 

ANILINEAQ species has been created in the DB of Exchange. The dbs and mod files of this case will be built with the updated Exchange. (ODT)

 

 

9.2.1 General Release ALL

General

  • Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes
  • Data for the hydrochloric acid salts of various Amines were moved from the proprietary AMINEHCL databank to MSE.
  • The UREA-CO2-H2O system was massively updated. See MSEPUB(MSE) Part 3 below for the changes.
  • The following list contains links to documents that detail the exact changes in the databanks for version 9.2.1 since the release of version 9.1.4
12.12.2014
Bug Description
3268(12883)

Solid species NiSO4.6H2O missing VREF data

VREF added. (ML)

3274

The species MORPHOLNHCL contains only general information in the AMINEHCL databank

The species MORPHOLNHCL was deleted. (ML,JB)

Please note, the AMINEHCL databank is only available to AMINE JIP member companies.

3275

AMINEHCL Databank: IUPAC name for morpholine hydrochloride was incorrect. The name was morhpholine hydrochloride.

There was an extra "h" in the name. The new IUPAC name is morpholine hydrochloride. (ML,JB)

3276(12897)

MSE: Solubility of iron species in MEG seems to be too high as compared to multiscale

Added

      MEG – FeSO4
      Estimates for MEG – FeCO3 and MEG – FeCl2

(PW)

3285(12948)

Solid Density of Na3PO4 Hydrates differed considerably in MSE than in AQ.

Solid Density values (VREF) improved. (PW)

3305(13011)

Dissociation constants for MEG in H2O are two orders of magnitude too high.

Parameters updated to match newly discovered literature data. (PW)

3310(13017)

MSE Framework O2 solubility is inverse that of AQ framework.

The data team revised these parameters. The O2 solubility v. [NaCl] is now consistent with the AQ model. (JL)

3327(12954)

Solubility of MgSO4.MeOH [MSE] seems too low

This system was revised using new literature data (PW)

3334

Move QUARTZ (SiO2) from MSEPUB to GEMSE

Moved to GEMSE per agents requests (PW)

3341

VLE and solubility of CO2 in MEG solutions was
incorrect at low concentrations of CO2 and low pressure

System was revised by PW.  All related systems also revised. (PW)

3355(12742)

VLE of the NH3-CO2-H2O system seems to be under predicting

This system was updates as part of the Urea Upgrade Project (RS)

   
9.1.5` General Release ALL

General

This version of the software did not have a databank update.

08.07.2014
9.1.4 General Release ALL

General

Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes

The following list contains links to documents that detail the exact changes in the databanks for version 9.1.4 since the release of version 9.1.3.

07.22.2014
Bug Description
3154

FeO has an incorrect synonym hematite in PUBLIC and MSEPUB databanks

FeO: corrected synonyms (JB)

3202

Moving FEOOH from MSEPUB to CRMSE and GEMSE

The data team moved this species to the MSE versions of CORROSION (CRMSE) and Geochem (GEMSE) (JB)

3203(12569)

Electrical Conductivity for CaSO4/H2O is not correct in MSE

Resolved by the data team (JB)

3204

As part of a general process of removing all species that do not have only a general inflow section the species NA4P2o7 should be removed from the CORROSIO databank (AQ)

Species was removed from the CORROSIO databank (JB)

3206(12614)

Missing ASID names for several species in MSEPUB.

Data team resolved the missing ASID fields in MSEPUB. See change log in release notes for the diffs. (JB)

   
9.1.3 General Release ALL

General

Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes

The following list contains links to documents that detail the exact changes in the databanks for version 9.1.3 since the release of version 9.1.1.

05.20.2014
Bug Description
3088(12155)

Scaling Scenario with CaCO3/MgCO3 with respect to temperature is exactly opposite in MSE than in AQ.

Interactions with Mg were not fit to high pressure with CaCO3 systems. All the systems with Mg were refit. A new ternary was also added for CaCO3-MgCl2-H2O (RS).

3104(12399)

Self-diffusivity data for Na+ and F- is too large in
MSE model

Updated self-diffusivity parameters for Na+/F- in MSE model. (PW)

3105(12402)

Self-diffusivity data for Na+ and NO2- is too large
in AQ model

Updated parameters for self diffusivity for Na+/NO2- for AQ model (PW)

   
9.1.2 General Release ALL There was no databank update for this release 03.27.2014
9.1.1 General Release ALL

General:

Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes

The following list contains links to documents that detail the exact changes in the databanks for version 9.1.1 since the release of version 9.0.12. Note, the file indicates a databank of 9.0.15 but this was renamed to 9.1.1 after the difference file was created.

03.24.2014
Bug Description
2977(11968)

The question below is about a ternary system in
Nacl- Na2SO4-H2O, and the noticeable difference between data in 3.2.11 and 9.0.4

2995(12061)

Pure component density for HF in MSE seems to be
over predicted v. DIPPR 801

3026(12148) The interactions between acetic acid and ethylene glycol were in error. They were updated for this build.
   
9.0.13 Not Released All

General

There was no update to the databanks for the 9.0.13 release of the OLI software. The 9.0.12 databanks were still used.

11.26.2013
9.0.12 General Release ALL

General:

Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes

The following list contains links to documents that detail the exact changes in the databanks for version 9.0.12 since the release of version 9.0.11

10.16.2013
Bug Description
   
9.0.11 General Release ALL

General:

Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes

The following list contains links to documents that detail the exact changes in the databanks for version 9.0.11 since the release of version 9.0.9

09.16.2013
Bug Description
1577()

The temperature extrapolation of hydrocarbons in MSE not valid.

This was a long-standing issue. It actually involved the interactions of the light hydrocarbons with the heavy hydrocarbons and their interactions with water. This was not previously considered. This new fit also was used to improve the pseudocomponent estimations.

2454(10351)

The osmotic pressure for a 1.0 molal solution of Na2Succinate should be around 70 ATM but is predicted to be 0.0009 ATM. Interaction parameters seems to be incorrect. Other divalent anion sodium salts seem to be OK.

This was updated.

2847(11616)

Amine HCL databank (MSE) does not have IDNO records for all species

IDNO has been assigned to AMINEHCL databank

   
9.0.10 Not Released      
9.0.9 General Release  

General:

Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes

The following list contains links to documents that detail the exact changes in the databanks for version 9.0.9 since the release of version 9.0.7

06.06.2013
Bug Description
2505(10290)

Density of Fe2(SO4)3 solutions had not been regressed for MSE. This was updated for the current build.

2629(10845) The inflow only species NAHSO3 was added to MSEPUB
2706(11005)

There are the following pure components, solid phases in the Exchange database that are already represented in the Public database Aniline and were removed.

Ca5FPO43
Ca5OHPO43
Phosgene
SrClion

2710(11098)

Moved the following species from GEOCHEM and others to PUBLIC
(AQFW) FEEOH, MGO and CAO

2713(11103) Heat Capacity data for acetonitrile seems was regressed and updated.
   
9.0.8 Not Released     04.25.2013
9.0.7 General Release ALL

General:

Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes

The following list contains links to documents that detail the exact changes in the databanks for version 9.0.7 since the release of version 9.0.3

03.25.2013
Bug Description
1784(8737)

Exchange Database had stray species. The following species already existed in the PUBLIC databank and were removed from the EXCHANGE databank.

Aniline
Ca5FPO43
Ca5OHPO43
HAnilineion
Phosgene, and
SrCl+

2251(9674)

AgCl solubility as a function of HCl was over predicted.

The following systems were updated:

Silver chemistry
      AgCl – H2O
      AgCl – HCl - H2O
      AgCl – NaCl - H2O

2499(10478)

Mo chemistry not represented well in Pourbaix
diagrams. The data was updated.

2529(10510)

Iron(II) - Pseudocomponent interaction was too powerful. It created unrealistic phase behavior.

This was actually traced to the Fe-CO2 interaction was was revised in a previous version.

2554(10568) The VREF record for the the solid phase of MA2C2O4 was missing in MSE. It was added.
2704(11077)

Heat Capacity data for MEG/H2O system was never
regressed. Since the Cp was updated it affected the following systems:

      MEG – H2O
      MEG – ethanol – H2O
      MEG – Na acetate
      MEG – MgCO3
      MEG – H3BO3
      MEG – K2CO3
      MEG – CaSO4
      MEG – Na2SO4
      MEG – K2SO4
      MEG – BaSO4
      MEG – KCl
      MEG – NaCl
      MEG – CaCl2 – NaCl
      MEG – H2S
      MEG – CO2
      MEG – NaHCO3 – Na2CO3 – NaCl
      MEG – KHCO3
      MEG – CaCO3 - NaCl
      MEG – O2

2722() The molecular weights in the surface complexation databank SCCCM were inconsistent. They were updated.
2731(11162) The individual species names for the Poly Acrylic Acids (PAA) have been renamed to make them consistent with each other.
   
9.0.6 General Release ALL

General:

There have been no changes to the databanks for this version. There have been changes to the corrosion rates databank.

Database Release notes

02.25.2013
9.0.5 Not Released      
9.0.4 General Release All

General:

There were no databank changes for this version.

12.14.2014
9.0.3 General Release ALL

General:

Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes

The following list contains links to documents that detail the exact changes in the databanks for version 9.0.3 since the release of version 9.0.2

12.11.2012
Bug Description
2617(10812)

The species H5MO7O24SO4ION has been shortened to H5MO7O24S4ION.  The same problem occurred with H4MO7O24NO3ION which was shortened to H4MO7O24N3ION.

   
9.0.2 General Release ALL

Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes

The following list contains links to documents that detail the exact changes in the databanks for version 9.0.2 since the release of version 9.0.0

10.10.2012
9.0.1 Not released ALL

General:

  • This version was not released.
09.05.2012
Bug Description
2499(10478)

Mo(+3) in MSE: A test case for Mo redox is inconsistent between the Pourbaix diagram and a single point calculation.  It seems like the thermodynamic reference state is in error

What is revised compared to the MSEPUB 9.0 release:

1. revised thermochemical properties (GREF, SREF, HREF) for the following species (Mo(III) and Mo(IV)):

 MOION   
 MOOHION
 MOOH2ION
 MOOH3AQ 
 MOO2PPT    

2. removed species MOCLION

3. revised interaction parameters:

 MOION   / CLION
 MOION   / H3OION
 MOION   / NAION
 MOOHION / CLION
 MOOHION / H3OION
 MOOHION / NAION
 MOION   / H2AQ
 MOOHION / H2AQ

4. removed interactions for MOCLION with CLION, H3OION, NAION, and H2AQ

These revisions are necessary (but was omitted) as we have revised the model for Mo(VI), and as the redox is on, the previously determined parameters for Mo(III) and Mo(IV) do not yield consistent results for the solubility of MoO2(s) in the redox environments (in Mo(III) solutions under H2 and in
Mo(VI) solutions under O2), and the thermochemical properties for the Mo(III) species are too strong (negative) so Mo(III) forms under unreasonable conditions.

   
9.0.0 General Release ALL

Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes

The following list contains links to documents that detail the exact changes in the databanks for version 9.0.0 since the release of version 8.3.6

07.11.2012
Bug Description
1707(8487)

Boron Redox is now enabled for AQ model

1972(9107) Plutonium REDOX was now enabled for MSE.
2299(9846)

Duplicate species in MSE versions of GeoChem and Corrosion are not consistent with MSEPUB. Resulted in different solubility values.

FeO (removed from CRMSE and GEMSE)

   
8.3.6 General Release All

Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes

The following list contains links to documents that detail the exact changes in the databanks for version 8.3.6 since the release of version 8.3.4

09.12.2011
8.3.5 Not Released     09.12.2011
8.3.4 General Release ALL

Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes

The following list contains links to documents that detail the exact changes in the databanks for version 8.3.4 since the release of version 8.3.1

06.22.2011
8.3.3 General Release All

Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes

The following list contains links to documents that detail the exact changes in the databanks for version 8.3.3

05.24.2011
8.3.2 General Release All No changes to the database for this version 04.19.2011
8.3.1 General Release All

Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes

The following list contains links to documents that detail the exact changes in the databanks for version 8.3.1 since the release of 8.2.2

12.08.2011
8.2.6 General Release All Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes 10.21.2010
8.2.5 Not Released      
8.2.4 General Release All Check here for changes to the PUBLIC and MSEPUB databases: Database Release notes 07.13.2010
8.2.3 General Release All Click here for a list of changes to the MSEPUB database: Database release notes 04.27.2010
8.2.2 General Release All Click here for a list of changes to the MSEPUB database: Database release notes 02.23.2010
8.1.11 General Release All Changes were made to the MSE Public database (MSEPUB) and AQ Public database (PUBLIC). No other databases were affected. See Database Release Notes for details (PDF, 19 kB) 12.11.2009
8.1.10 Not Released      
8.1.9 General Release All Changes were made to the MSE Public database (MSEPUB) and AQ Public database (PUBLIC). No other databases were affected. See Database Release Notes for details (PDF, 19 kB) 09.08.2009
8.1.8 Not Rleased      
8.1.7 Not Released      
8.1.6 General Release All No database changes from 8.1.4  
8.1.5 Not Released      
8.1.4 General Release All Changes were made to the MSE Public database (MSEPUB). No other databases were affected. See Database Release Notes for details (PDF, 19 kB) 03.24.2009
8.1.3 General Release All No database updates 03.24.2009
8.1.02 General Release MSE

Changes and updates to the PUBLIC (MSEPUB) Database (Version 8.1.0)

  • Amine – water and selected amine – hydrocarbon systems for:
    • Monoethanoloamine (MEA)
      • MEA – methane, ethane, propane, propene, pentane, hexane, heptane, benzene, toluene
    • diethanolamine (DEA)
      • DEA – methane, ethane, propane, propene, pentane, hexane, hexadecane, octadecane, benzene, toluene
  • Ionic liquids (EMIM: 1-ethyl-3-methyl imidazolium, BMIM: 1-butyl-3-methyl imidazolium)
    • BMIM-N(SO2CF3)2 – H2O
      - methanol
      - toluene
      - hexane
      BMIM-PF6 – H2O
      - methanol
      - toluene
      - hexane
      BMIM-SO3CF3 – H2O
      - toluene
      - hexane
      BMIM-BF4 – H2O
      - methanol
      - toluene
      - hexane
      - CH2Cl2
      EMIM-N(SO2CF3)2 – H2O
      - methanol
      - toluene
      - hexane
      - CH2Cl2
      EMIM-PF6 – H2O
      - toluene
      EMIM-SO3CF3 – H2O
      - methanol
      EMIM-BF4 – H2O
      - methanol
      - toluene
      - hexane
      EMIM-N(SO2CF3)2 – BMIM-N(SO2CF3)2 – H2O
      EMIM-N(SO2CF3)2 – BMIM-N(SO2CF3)2 – hexane
      BMIM-BF4 – BMIM-PF6
  • Sulfur – iodine systems
    • HI + I2 + H2O
    • SO2 + H2SO4 + H2O
    • H2SO4 + HI + I2 + H2O
    • SO2 + HF + H2O
    • I2 + HCl + H2O (as a model for I2 + HF + H2O)
  • Organic acids and their esters
    • Acrylic acid – H2O
      Acrylic acid – acetic acid
      Acrylic acid – 1-butanol – H2O
      Butyl acrylate – H2O
      Acrylic acid – butyl acrylate – H2O
      Butyl acrylate – butanol – H2O
      Butyl acrylate – toluene
      Butyl 3-butoxypropionate – H2O
      p-toluenesulfonic acid – H2O
      Acrylic acid complexes with Cu, Fe, Ni, Mo, Cr
  • Revisions of parameters for previously developed systems:
    • MgSO4 – H2O
      Formic acid – H2O
      NH3 – H2O (only density was revised)
      NaOH – H2O (only electrical conductivity was revised)
  • Additional redox equilibria C – CO – CO2 redox

Changes and updates to the Corrosion (CRMSE) Database and Geochemical Database (GEMSE) (Version 8.1.0)

  • NiO deleted
01.21.2009
Aqueous

Changes and updates to the PUBLIC (Aqueous) Database (Version 8.1.0)

  • Revisions of parameters for previously developed systems:
    Na2SO4 – H2O (only density was revised)
  • Additional redox equilibria
    C – CO – CO2 redox

Changes and updates to the Corrosion (CORROSIO) Database and Geochemical Database (GEOCHEM) (Version 8.1.0)

  • NiO deleted
8.0.61 Limited Release MSE

Changes and updates to the PUBLIC (MSEPUB) Database (version 8.0.16)

  • The chemical formula for the species CUCLION was incorrect. It was Cu+1 and has been changed to CuCl+1
10.07.2008
Aqueous

Changes and updates to the PUBLIC (Aqueous) Database (version 8.0.07)

  • The chemical formula for the species CUCLION was incorrect. It was Cu+1 and has been changed to CuCl+1
8.0.60 General Release MSE

Changes and updates to the PUBLIC (MSEPUB) Database (version 8.0.15)

  • Copper Chemistry
    • CuO/Cu(OH)2 + morpholine
    • CuO/Cu(OH)2 + NH3
    • CuO/Cu(OH)2 + NH3 + NaOH
    • CuO/Cu(OH)2 + Et2NH
    • Cu2CO3(OH)2 – Cu3(CO3)2(OH)2 - Cu(OH)2 – CO2
    • CuCl2
    • CuCl2 – morpholinium hydrochloride – H2O
    • CuS + NaHS + H2S
    • Cu2S + NaHS + H2S
    • CuFeS2 – Cu5FeS4
    • CuFe2O4
    • CuFeO2
  • Iron Chemistry
    • Fe(OH)2
    • Fe(OH)2 + NH3 + HCl
    • Fe(OH)2 + NH3 + H2SO4
    • NaFeO2
    • FeS (troilite, mackinawite) + HCl, NaHS
    • Fe – acetate complexes
    • FeCr2O4
  • Nickel Chemistry
    • NiO/Ni(OH)2 + HCl, NaOH
    • NiO/Ni(OH)2 + morpholine
    • NiO/Ni(OH)2 + NH3
    • NiO/Ni(OH)2 + PO4
    • NiS
    • NiS2
    • Ni3S2
    • NiTiO3
    • NiCr2O4
  • Cyanide Chemistry
    • HCN – NaCN – H2O
  • Oil Field Chemistry updates
    • Na2S – NaHS – H2S – H2O
    • Ca acetate – acetic acid – H2O
    • H4Cl – HCl – H2O
    • NH4Cl – NH3 – H2O
    • FeS – H2O
  • Miscellaneous Systems
    • MgSO4 – H2O
      • The low-temperature phase MgSO4?12H2O has been added;
    • SnCl4 – H2O
      • The parameters have been revised in light of some new data
    • K2CO3 – KHCO3 – CO2 – H2O
      • Density and viscosity predictions have been improved
    • Ethanol – NaCl – H2O
      • Solubility predictions have been slightly improved.








08.21.2008
Aqueous

Changes and updates to the PUBLIC (Aqueous) Database (version 8.0.06)

  • Copper Chemistry
    • CuO/Cu(OH)2 + morpholine
    • CuO/Cu(OH)2 + NH3
    • CuO/Cu(OH)2 + NH3 + NaOH
    • CuO/Cu(OH)2 + Et2NH
    • Cu2CO3(OH)2 – Cu3(CO3)2(OH)2 - Cu(OH)2 – CO2
    • CuCl2
    • CuCl2 – morpholinium hydrochloride – H2O
    • CuS + NaHS + H2S
    • Cu2S + NaHS + H2S
    • CuFeS2 – Cu5FeS4
    • CuFe2O4
    • CuFeO2
  • Iron Chemistry
    • Fe(OH)2
    • Fe(OH)2 + NH3 + HCl
    • Fe(OH)2 + NH3 + H2SO4
    • NaFeO2
    • FeS (troilite, mackinawite) + HCl, NaHS
    • Fe – acetate complexes
    • FeCr2O4
  • Nickel Chemistry
    • NiO/Ni(OH)2 + HCl, NaOH
    • NiO/Ni(OH)2 + morpholine
    • NiO/Ni(OH)2 + NH3
    • NiO/Ni(OH)2 + PO4
    • NiS
    • NiS2
    • Ni3S2
    • NiTiO3
    • NiCr2O4
  • Mixed MgKPO4 solids
  • Improved the prediction of densities for Na2SO4.

 

8.0.59 Not Released All Areas Internal Release 07.28.2008
8.0.58 General Release MSE

Changes and updates to the PUBLIC (MSEPUB) Database (version 8.0.14)

FeCl+2 ion chemical formula was incorrect. It was changed to FeCl+2 from FeCl2+2

  • Amine – water and selected amine – hydrocarbon systems for:
    • Trimethylamine
    • Ethylamine
      n-Butylamine
  • Mixed amines:
    • Methylamine – dimethylamine – H2O
    • Methylamine – trimethylamine – H2O
    • Dimethylamine – trimethylamine – H2O
  • Nitrite chemistry
    • HNO2
    • NaNO2
  • Mixed ternary and quaternary Na – F – NO3 – NO2 – PO4 – CO3 – OH mixtures
    • NaOH – NaNO3
    • NaF – NaOH
    • NaF – Na3PO4
    • NaF – Na3PO4 – NaOH
    • NaF – Na3PO4 – NaOH – NaNO3
    • NaF – NaNO3
    • NaF – NaNO3 - NaOH
    • Na3PO4 – NaNO3
    • Na3PO4 – NaNO3 - NaOH
    • NaNO2 – Na2CO3 / NaHCO3
    • NaNO2 – Na2CO3 - NaOH
    • NaNO2 – Na2SO4
    • NaNO2 – Na2SO4 - NaOH
    • NaNO2 – NaOH
    • NaOH – Na2CO3
    • NaF – Na2SO4
    • NaF – Na2SO4 - NaOH
    • NaOH – Na2SO4
    • NaNO3 – Na2SO4
    • NaNO3 – Na2SO4 - NaOH
    • NaNO3 – Na2CO3
    • NaNO3 – Na2CO3 - NaOH
  • Glycol chemistry
    • MEG – H2O ternaries
      • KCl, Na2SO4, K2SO4, K2CO3, CaSO4, BaSO4, Na acetate, NaBO2
    • DEG – H2O ternaries
      • KCl, NaCl, CaCl2, MgCl2
    • TEG – H2O ternaries
      • KCl
  • Ti chemistry
    • Na2TiO3, Na2Ti3O7
  • Pb chemistry
    • PbO2
    • Pb3O4
      PbO.PbSO4
    • PbS
      + H2S - NaCl
      + HCl
    • PbCO3
      + CO2, NaCl, NaClO4, Na2CO3, NaHCO3, KOH, KHCO¬3
    • PbO.PbCO3
    • PbO.SiO2
    • PbO.TiO2 (PbTiO3)
  • Mo(III) chemistry
    • Mo(III) – Mo(IV) – H2 - H - Na – Cl
  • H2 chemistry
    • H2 – H2O – Na – H – Cl
  • O2 chemistry
    • O2 - EtOH – H2O
  • H2S chemistry
    • H2S – NaCl – H2O
  • NaOH – H2O (density correction only)
  • General information for oxides of metals from the 1st and 2nd group of the periodic table
4.22.2008
Aqueous

Changes and updates to the PUBLIC (Aqueous) Database (version 8.0.06)

  • Ti chemistry
    • TiO2 (rutile, amorphous) - NaOH
    • Na2TiO3, Na2Ti3O7
  • Pb chemistry
    • PbO2
    • Pb3O4
    • PbO.PbSO4
    • PbS
      + H2S - NaCl
      + HCl
      PbCO3
      + CO2, NaCl, NaClO4, Na2CO3, NaHCO3, KOH, KHCO¬3
    • PbO.PbCO3
    • PbO.SiO2
    • PbO.TiO2 (PbTiO3)
  • General information added and updated for oxides of metals from the 1st and 2nd group of the periodic table
  • There was a change to the Arsenic REDOX subsystem. The previous version used these series of equilibria:
    0.4ARSELPPT+0.2H2O+0.3O2AQ=0.4ARSO2ION+0.4HION
    2ARSO2ION+2H2O+O2AQ=2ARSO4ION+4HION
    ASH3AQ=ARSELPPT+1.5H2AQ

 

  • The elemental arsenic species, ARSEL, appeared as a solid in two locations. This essentially canceled out the formation of the solid. The subsystem was re-written to this series:
    0.4ARSELPPT+0.2H2O+0.3O2AQ=0.4ARSO2ION+0.4HION
    2ARSO2ION+2H2O+O2AQ=2ARSO4ION+4HION
    ASH3AQ+O2AQ=ARSO2ION+H2AQ+HION
7.0.57 General Release Aqueous

Changes and updates to the PUBLIC (Aqueous) Database (version 7.0.04)

Methylamine – H2O

CaO (general information only)

02.05.2008
7.0.57 MSE

Changes and updates to the PUBLIC (MSEPUB) Database (version 7.0.12)

  • Amine – water and selected amine – hydrocarbon systems for:
    • Morpholine
    • Methylamine
    • Dimethylamine
    • Diethylamine
  • NH4NO3 + (NH4)2SO4 + HNO3 + NH3 + H2O
  • Barium chemistry
    • Binaries:
      • Ba(OH)2 – H2O
      • BaCO3 – H2O
      • BaSO4 – H2O
    • Ternaries:
      • Ba(OH)2 – H2O - NaOH, NaCl, KCl, BaCl2
      • BaCl2 - H2O – NaCl, KCl, MgCl2, CaCl2, Ca(OH)2
      • BaCO3 – H2O - CO2, BaCl2, NaCl, KCl
      • BaSO4 – H2O - NaCl, KCl, MgCl2, CaCl2, Na2SO4, Na2B4O7
  • Methanol chemistry
    • Methanol – salt - H2O ternaries with the following salts:
      KCl, Na2SO4, K2SO4, MgCl2, MgSO4, CaCl2, CaSO4, BaCl2, Na2CO3, NaHCO3, H3BO3, Na acetate, K acetate, Na formate, H2S
  • Ethanol chemistry
    • Ethanol – salt – H2O ternaries with the following salts:
      NaCl, LiCl
7.0.56 General Release Aqueous

Changes and updates to the LAB Database (version 7.0.1)

  • The species H2BO3Z (which corresponds to H2BO3-1) was removed since there is no corresponding species in the PUBLIC database.
11.27.2007
7.0.56 MSE

Changes and updates to the MSE Corrosion (CRMSE) database (7.0.3)

  • The following species were removed from the CRMSE database to avoid duplication with corresponding species that exist in the MSEPUB database
    • MoO2
    • MoO3
    • Mo3+
    • Mo(OH)3
    • WO3
7.0.55 General Release MSE

Changes and updates to the PUBLIC (MSEPUB) Database (version 7.0.11)

  • Pb chemistry
    • PbO/Pb(OH)2 - H2O – H+ - OH-
    • PbCl2 - HCl
    • PbCl2 - NaCl
    • PbSO4 - Na2SO4
    • PbSO4 – NaCl
    • PbSO4 – HCl
    • PbSO4 – H2SO4
  • Glycolic acid and sodium glycolate
  • NaBH4 – NaOH
  • Borate chemistry
    • H3BO3 – NaOH
    • H3BO3 – LiCl
    • H3BO3 – NaCl
    • H3BO3 – HCl
    • H3BO3 – acetic acid
    • NaBO2 – NaCl
    • Na2B4O7 – Na formate
  • Formate chemistry
    • Formic acid – LiCl
    • Formic acid - NaCl
  • Acetate chemistry
  • Acetic acid - HCl
    • Li acetate + acetic acid + H2O
  • LiCl – MgCl2
  • Na2SO3 – SO2
  • CO2 – H2S
  • NH4F densities
  • Na phosphate solid volumes
10.02.2007
7.0.55 Aqueous

Changes and updates to the PUBLIC (Aqueous) Database (version 7.0.03)

  • Pb chemistry
    • PbO/Pb(OH)2 - H2O – H+ - OH-
    • PbCl2 - H2O - HCl
    • PbCl2 - H2O - NaCl
    • PbSO4 - Na2SO4 - H2O
    • PbSO4 – NaCl – H2O
    • PbSO4 – HCl – H2O
    • PbSO4 – H2SO4 – H2O
  • Glycolic acid and sodium glycolate
  • LiBr – H2O
  • Propionic acid
  • Pu chemistry
    • Pu(IV), Pu(V), Pu(VI) oxides, hydroxides + H2O + NaOH
  • Mercaptans, mercaptate ions and sodium mercaptates
    methyl, ethyl, propyl, butyl, pentyl, hexyl, heptyl
  • Disulfides
    dimethyl, diethyl, dipropyl, dibutyl, dipentyl, dihexyl, diheptyl
  • NaOH viscosity
  • Enabling tellurium redox
7.0.54 General Release All No updates 08.27.2007
7.0.53 General Release MSE

Changes and updates to the PUBLIC (MSEPUB) Database (version 7.0.10)

  • Na formate – formic acid – NaOH – H2O
  • Li formate – formic acid – LiOH – H2O
  • Malic acid – H2O
  • NH4F – H2O
  • Na – H – PO4 – OH systems with a complete treatment of Na phosphate phases. The species NAOHAQ was removed.
  • HCl solids
  • NaOH (revision)
  • H3PO4 (revision)
  • Methanol – NaCl – H2O (revision)
  • NH4Cl-H2O density revised

 

08.08.2007
7.0.52 General Release MSE

Changes and updates to the PUBLIC (MSEPUB) Database (version 7.0.9)

  • BaTiO3
  • HCl-Methanol-H2O

Changes and updates to the Corrosion (CRMSE) Database (version 7.0.2)

  • CrOOH
05.10.2007
7.0.51 Not Released   This version was skipped 05.10.2007
7.0.50 General Release MSE

Changes and updates to the PUBLIC (MSEPUB) Database (version 7.0.8)

  • Titanium (IV) chemistry
    TiO2 (rutile and amorphous) as a function of pH
    TiCl4 – H2O – HCl
    Ti butoxide
  • Oxalic acid chemistry
    Oxalic acid + HCl, H2SO4, HNO3
    Oxalic acid + H2O + methanol, ethanol, 1-propanol
  • Barium salts
    BaCl2
    Ba(CH3COO)2
  • Organic nonelectrolyte mixtures
    1-Butanol – H2O
    CCl4 – H2O, acetone, toluene, cyclohexane, benzene
    Cyclohexane – toluene, benzene
    Monoethylene glycol – ethanol – H2O
  • Nickel chemistry
    Ni(NO3)2
    Nickel ferrite NiFe2O4
  • Iron chemistry
    FeCl2 – HCl
    FeCl3 – HCl
    Fe(NO3)2 – HNO3
    Fe – polyacrylic acid complexes
  • Chromium chemistry
    Cr(OH)3 and CrOOH as a function of pH
    Cr2(SO4)3 – H2SO4 (update)
    Cr(NO3)3 – HNO3 (update)
    CrCl3 – HCl (update)
    CrO3
    CrO3 – HNO3
  • Hydrocarbon chemistry
    Hydrocarbon – water – salt systems in which the salts contain the H+, NH4+, Li+, Na+, K+, Mg2+, Ca2+, Cl-, OH-, HCO3-, CO32-, and NO3- ions
  • Borate chemistry
    Ca borates
    Mg borates
    Bonaccordite (Ni2FeBO5)
    Boric acid: added gas-phase properties
  • Silicon chemistry
    SiO2 – H2O – NaOH - HCl
  • NaOH: density improvement
  • H3PO4: update to make improvements at high temperatures
  • Na, K phosphates: update to make improvements at high temperature

MSE Geochemical Database (GEMSE) (Version 7.0.1 )New

  • All species from the aqueous electrolyte (AE) GeoChem database have been ported to MSE. The new database name is GEMSE
  • New species have been added to GEMSE
    • Tremolite Ca2Mg5Si8O22(OH)2
    • Chamosite (Fe,Al,Mg,Mn)6(SiAl)4O10(OH)8
    • Ilvaite CaFe3(SiO4)OH
    • Kellyite (Mn,Al)3(Si,Al)2O5(OH)4
    • Nimite (Ni,Mg,Al)6(Si,Al)4O10(OH)8
    • Pennantite (Mn5Al)(Si3Al)O10(OH)8
    • Truscottite Ca14Si24O58(OH)8•2H2O
04.23.2007
7.0.49 No Change   No changes to the databases 04.23.2007
7.0.48 No Change   No change to the databases 04.23.2007
7.0.47 No Change   No change to the databases 04.23.2007
7.0.46 General Release MSE
  • Molybdenum (III, IV, VI) chemistry
    • MoO3 – H – Cl
    • MoO3 – H – SO4
    • MoO3 – H – NO3
    • MoO2
    • Mo(III) speciation
  • Tungsten (IV, VI) chemistry
    • WO3 – H – Na – Cl
    • WO3 – H – NO3
    • WO2
  • Hydrocarbon – H2O systems (note: the effect of electrolytes on hydrocarbon phase equilibria is not included yet)
    • Straight chain alkanes: C1 through C30
    • Isomeric alkanes: Isobutane, isopentane, neopentane
    • Alkenes: Ethene, propene, 1-butene, 2-butene, 2-methylpropene
    • Aromatics: benzene (revision), toluene (revision), o-, m-, p-xylenes, ethylbenzene, cumene, naphthalene, anthracene, phenantrene
  • Improvement of enthalpy calculations for H2O - H2SO4 – SO3
  • NH4OH (information to link it with NH3 chemistry)
11.16.2006
7.0.45 Not Released All   11.09.2006
7.0.44 General Release MSE
  • Mixed H – Na – F – NO3 systems
  • Mixtures of CO2, methanol, acetic acid and water
  • Mixtures of CO2, NH3 and H2O (including NH4HCO3, (NH4)2CO3, and NH4CO2NH2)
  • Improvement of solubility predictions in systems containing CaSO4
  • The system HF-HCl-H2O was updated

 

09.05.2006
7.0.43 General Release All Version number updated to keep pace with the OLI Engine 07.08.2007
7.0.42 General Release ALL New security was added to allow for the partial display of some thermodynamic properties. Currently Limited Access will display the reference state properties of G, H, S, Cp and V 06.05.2006
7.0.41 General Release MSE

The following Species or Systems have been updated

  • LiOH
  • H3BO3
  • Lithium Borates
  • Mixed systems containing H+, Na+, NO3- and Cl-
  • Comprehensive regression of transport properties for the systems that are supported by the MSEPUB database
  • Redox enabled for meta-stable sulfur species

The MIXSOL database transport properties have now been migrated to the hydronium ion framework database (MSEPUB). The MIXSOL database will no longer be available.

05.31.2006
7.0.41 General Release Aqueous Framework

The following species or systems have been updated

  • 2,6-Dimethylmorpholine
  • Dimethylmercury
  • Copper – piperazine complexes
  • Antimony hydroxide species\
  • Dimethylacetamide (volume only)
  • Sodium pertechnetate
  • Including I3- ion in iodine chemistry
  • Sodium nitrate + nitric acid (density only)
  • Electrical conductivity for sodium phosphates
  • Enabling redox calculations for metastable sulfur species
05.31.2006
7.0.40 General Release MSE

The following chemical systems were added

  • Methionine Chemistry
  • Dimethylmorpholine
  • N-Methylpyrrolidone

The electrical conductivity for phosphoric acid and sodium phosphates were added.

The density of HI was improved.

The following system(s) were updated:

  • HNO3 - SO3 - H2SO4
04.26.2006
7.0.39 Not Released     04.10.2006
7.0.38 General Release ALL Database number updated to keep pace with ESP 04.07.2006
7.0.37 Agent Release MSE

The following species and systems were updated:

Polyacrylic acid and its complexes with Cu, Zn and Ca

Mono-, di-, and triethylene glycols (MEG, DEG, and TEG) in mixtures with H2O, CO2, H2S, HCl, NaCl, Na2CO3, NaHCO3, CaCl2 and CaCO3

Various mixtures containing Na+, K+, Ca2+, Mg2+ as cations and Cl- and NO3- as anions (in light of recent data from the Oak Ridge and Lawrence Livermore National Laboratories)

Methyldiethanolamine (MDEA) with H2O and MEG

Pentadecane with H2O

Hydroxylamine

02.14.2006
7.0.36 General All Version number update to be consistent with the ESP software 02.08.2006
7.0.35 General MSE New parameters for:

HBr – H2O
FeBr2 – H2O
FeBr3 – H2O
ZnCl2 – HCl – H2O
ZnSO4 – H2SO4 – H2O
Zn(NO3)2 – HNO3 – H2O
CuSO4 – H2SO4 – H2O
Cu(NO3)2 – HNO3 – H2O
Fe2(SO4)3 – H2SO4 – H2O
Fe(NO3)3 – HNO3 – H2O
NiCl2 – HCl – H2O
NiSO4– H2SO4 – H2O
Triethylamine – H2O
Na2SO4 – NaF – H2O

Improved parameters for calculating solid-gas, solid-liquid and vapor-liquid equilibria for:

ZnCl2 – LiCl – H2O
FeSO4 – H2SO4 – H2O
CH3SO3H – Sn(CH3SO3)2 – H2O
Acetic acid – H2O – ethanol, methanol
Formic acid – H2O – ethanol, methanol
HCl – methanol – H2O
SO2 – H2SO4 – SO3 – H2O

Improvement of extrapolation of electrical conductivity with respect to temperature

Note: The H3O+ - based databank (i.e., MSEPUB) now contains thermodynamic parameters for all species that were included in the original H+ - based databank (MIXSOL), plus many more. MIXSOL is still retained only because MSEPUB does not contain a comprehensive set of transport property parameters.

12.21.2005
7.0.35 Agent Corrosion Kinetics Nickel has been added (in contact with the same aqueous chemistry as for other alloys) 12.12.2005
7.0.34 General All Official release of the software. Coincided with the OLI Users Conference 10.01.2005
7.0.33 Not Released      
7.0.32 Not Released      
7.0.31 Not released      
7.0.30 General MSE

Improved parameters for calculating solid-gas, solid-liquid and vapor-liquid equilibria for:
NH4Cl + HCl + NH3 + H2O
NH4HS + H2S + NH3 + H2O

New parameters for:
H2O2 chemistry, including acid-base properties and mixtures with H2SO4, NaOH and NaNO3
HNO3 + N2O5 + H2O
HNO3 + H2SO4 + SO3
Sulfamic acid + H2O
Na2S2O3 + H2O
Catechol + H2O
FeSO4 + H2SO4 + H2O
NH4NO3 + NaNO3 + H2O
Potassium acetate – acetic acid + H2O
Chloroform + H2O

8.05.2005
7.0.28 General Corrosion Kinetics New parameters for predicting corrosion rates of alloy C-22 and type 316 stainless steel in contact with HF-containing systems  
7.0.28 General Corrosion Kinetics Corrosion rate predications added for alloy C-276 in HF solutions and mixed acid solutions with HF.  
7.0.28 General MSE Partial pressures of sulfuric acid improved for the hydronium ion framework.  


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