Objective
This article provides a list of species in the Version 12 MSE databank that are not intended to be used in the MSE-SRK thermodynamic framework.
Software Warning Messages
Warning messages in OLI Studio when a species not suitable for MSE-SRK is included. (Note: MSE-SRK is selected as the thermodynamic framework for this stream.)
Warning message in OLI Flowsheet: ESP when a species not suitable for MSE-SRK is included. (Note: MSE-SRK is selected as the thermodynamic framework for this Chemistry Model in the Databanks section.)
List of Species Not Suitable for MSE-SRK
| OLI tag name | IUPAC name |
| ACENITRILE | Acetonitrile |
| ACETONE | Acetone |
| ACETYLENE | Acetylene |
| ACRYL2 | Acrylic acid dimer |
| ACRYLONTRL | 2-Propenenitrile |
| B2CEE | 3,3'-Oxybispropanenitrile |
| B3BPROPNAT | n-Butyl 3-butoxypropanoate |
| BIURET | Biuret |
| BMIMBF4 | 1-Butyl-3-methylimidazolium tetrafluoroborate |
| BMIMCF3SO3 | 1-Butyl-3-methylimidazolium trifluoromethanesulfonate |
| BMIMNCF3S2 | 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide |
| BMIMPF6 | 1-Butyl-3-methylimidazolium hexafluorophosphate |
| BNZDIOL12 | 1,2-Benzenediol |
| BUTAC2 | butanoic acid, dimer |
| BUTACRYLAT | n-Butyl acrylate |
| BUTLACETAT | 1-Butyl acetate |
| BUTRALDEHY | n-Butanal |
| BUTYALCHOL | Butanol |
| BUTYLAMINE | 1-Butanamine |
| BUTYLFARMT | n-Butyl formate |
| BUTYLMCPT | 1-Butanethiol |
| BUTYRICAC | n-Butanoic acid |
| C10H22S2 | 6,7-Dithiadodecane |
| C12H26S2 | 7,8-Dithiatetradecane |
| C14H30S2 | 8,9-Dithiahexadecane |
| C3H4N4O2 | 6-Amino-2,4-Dihydroxy-1,3,5-Triazine |
| C3H5N5O | 4,6-Diamino-2-hydroxy-1,3,5-triazine |
| C3H6N6 | 1,3,5-Triazine-2,4,6-triamine |
| C3H7SH | 1-Propanethiol |
| C4H10S2 | Diethyl disulfide |
| C4H2O3 | Maleic anhydride |
| C5H11SH | 1-Pentanethiol |
| C6H12O7 | D-Gluconic acid |
| C6H13SH | 1-Hexanethiol |
| C6H14S2 | 4,5-Dithiaoctane |
| C6H15N3 | 1,3,5-trimethyl-1,3,5-triazinane |
| C6H5OH | Phenol |
| C6H9N11 | N2-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine |
| C7H15SH | 1-Heptanethiol |
| C8H18S2 | 5,6-Dithiadecane |
| CAPROLACTAM | 6-Caprolactam |
| CARBNTET | Carbon tetrachloride |
| CCROTONTRL | (Z)-2-Butenenitrile |
| CHEXNNOXIM | Cyclohexanone oxime |
| CHLOROFM | Chloroform |
| CHXANOL | Cyclohexanol |
| CLFL2ME | Chlorodifluoromethane |
| CYANOPYRID3 | 3-Pyridinecarbonitrile |
| CYCLHEXAMN | Cyclohexanamine |
| DCLMETHN | Dichloromethane |
| DEXH | N,N-Diethanolamine |
| DGXH | 2-Aminoethoxyethanol |
| DIETHCARB | Diethyl carbonate |
| DIETHYLAMN | N,N-Diethylamine |
| DIMECARB | Dimethyl carbonate |
| DLEUCINE | D-Leucine |
| DMEA | Dimethylamine |
| DMEDSFIDE | Dimethyl disulfide |
| DMEXH | 2-Dimethylaminoethanol |
| DMF | N,N-Dimethylformamide |
| DMIPA | Dimethylisopropanolamine |
| EFORMAT | Ethyl formate |
| EMIMBF4 | 1-ethyl-3-methylimidazolium tetrafluoroborate |
| EMIMCF3SO3 | 1-ethyl-3-methylimidazolium trifluoromethanesulfonate |
| EMIMNCF3S2 | 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide |
| EMIMPF6 | 1-ethyl-3-methylimidazolium hexafluorophosphate |
| ENAMN2 | Ethylenediamine |
| ETAMINE | Ethylamine |
| ETHANOL | Ethanol |
| ETHECARB | Ethylene carbonate |
| ETMCAPTAN | Ethanethiol |
| FORMALDHYD | Formaldehyde |
| FORMAMIDE | Formamide |
| FUMANITRILE | (E)-2-Butenedinitrile |
| GLUCOSE | D-Glucose |
| GLYCOLACID | Glycolic acid |
| H8SUCROSE | Sucrose |
| HACRYLATE | Acrylic acid |
| HDROXAMN | Hydroxylamine |
| HNCO | Isocyanic acid |
| HNCO3 | 1,3,5-Triazinane-2,4,6-trione |
| HPNOICACID | Heptanoic acid |
| HPROPANATE | Propionic Acid |
| IPRPYLAM | Isopropylamine |
| ISOSORB | 1,4:3,6-dianhydro-D-sorbitol |
| ISPROPANOL | 2-Propanol |
| LLEUCINE | L-Leucine |
| M4PNTON2 | 4-Methyl-2-pentanone |
| MAA2 | 2-Methyl-2-propenoic acid dimer |
| MDEXH | Diethanolmethylamine |
| MEACRYLACD | 2-Methyl-2-propenoic acid |
| MEAMINE | Methylamine |
| MEMERCAPTN | Methanethiol |
| MEPYROLIDN | 1-Methyl-2-pyrrolidinone |
| MEXH | 2-Aminoethanol |
| MOPA | 3-Methoxypropylamine |
| MORPHLN26ME | 2,6-dimethylmorpholine |
| MORPHOLN | Morpholine |
| MPYRIDINE3 | 3-Methylpyridine |
| NEM | N-Ethylmorpholine |
| NH2CL | Chloramide |
| NH3 | Ammonia |
| NHCL2 | Chlorimide |
| NITBNZ | Nitrobenzene |
| NMM | N-Methylmorpholine |
| NNM2ACEAMD | N,N-Dimethylacetamide |
| OXAZOLE | 1,3-Oxazole |
| OXIRANE | Epoxyethane |
| PF5 | phosphorus pentafluoride |
| PROPAC2 | Propionic acid, dimer |
| PROPANOL1 | 1-Propanol |
| PROPYLAMN | Propylamine |
| PRPLNCARB | Propylene carbonate |
| PRPLNGLY12 | 1,2-Propanediol |
| PYRAZOLE | 1H-Pyrazole |
| PYRIMIDINE | Pyrimidine |
| S1 | Sulfur1 |
| S2 | Sulfur2 |
| S3 | Sulfur3 |
| S4 | Sulfur4 |
| S5 | Sulfur5 |
| S6 | Sulfur6 |
| S7 | Sulfur7 |
| SCO2 | Sulfur1CO2 |
| SECBUTYAMN | 2-Butanamine |
| SORBITAN | 1,4-anhydro-D-sorbitol |
| SORBITOL | Sorbitol |
| SULFUREL | Sulfur |
| T2O | Tritium oxide |
| TAME | 2-Methyl-2-methoxybutane |
| TCROTONTRL | (E)-2-Butenenitrile |
| TEXH | Triethanolamine |
| TIIVNBUT4 | Titanium tetra-n-butanolate |
| TRIBUTPHOS | Tri-n-butylphosphate |
| TRIEAMINE | Triethylamine |
| TRIMEAMINE | Trimethylamine |
| TRIOCTYLAM | trioctylamine |
| UREA | Urea |
| ALMESTYREN | 2-Phenyl-1-propene |
| COS | Carbonyl sulfide |
| ACETALDEHD | Ethanal |
| ADPNITRILE | Hexanedinitrile |
| PRPNITRILE | Propanenitrile |
| MPDNITRILE | 2-Methylpentanedinitrile |
| PIP | 1,4-Diazacyclohexane |
| CYANEX272 | Bis(2,4,4-trimethylpentyl)phosphinic acid |
| CYANEX301 | Bis(2,4,4-trimethylpentyl)dithiophosphinic acid |
| DEHPA | Di-2-ethylhexylphosphoric acid |
| PC88A | 2-ethylhexylphosphonic acid mono-2-ethylhexyl ester |
| VERSATIC10 | Neodecanoic acid |