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Titolo:
MOLECULAR MODELING IN THE SEARCH OF IMPROVED EQUATION OF STATE
Autore:
SMIRNOVA NA; VICTOROV AI;
Indirizzi:
ST PETERSBURG STATE UNIV,DEPT CHEM,UNIV PROSP 2 198904 PETRODVORETS RUSSIA
Titolo Testata:
Fluid phase equilibria
, volume: 82, anno: 1993,
pagine: 333 - 344
SICI:
0378-3812(1993)82:<333:MMITSO>2.0.ZU;2-5
Fonte:
ISI
Lingua:
ENG
Soggetto:
PHASE-EQUILIBRIA; THERMODYNAMIC PROPERTIES; LIQUID-EQUILIBRIA; FLUID MIXTURES; LATTICE MODEL; PURE FLUIDS; NATURAL-GAS; SIMULATIONS; PRESSURES; SYSTEMS;
Keywords:
THEORY; EQUATION OF STATE; ASSOCIATION; GROUP CONTRIBUTION; MIXTURES; NONPOLAR; POLAR;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Science Citation Index Expanded
Citazioni:
29
Recensione:
Indirizzi per estratti:
Citazione:
N.A. Smirnova e A.I. Victorov, "MOLECULAR MODELING IN THE SEARCH OF IMPROVED EQUATION OF STATE", Fluid phase equilibria, 82, 1993, pp. 333-344

Abstract

In the search of improved EOS the results of molecular theory and computer simulations are extensively used, special attention being paid to effects of molecular size, polarity and the ability of molecules to associate. The relation of various EOS to underlying molecular models is discussed, the advantages of the SAFT EOS as the most theoreticallysound equation are emphasized. New results are presented concerning the application and modification of the hole group contribution model proposed in our previous works. This model has proved to be universal and sufficiently elaborated for phase equilibria calculations over a wide range of temperatures and pressures for pure and mixed fluids of different chemical nature. However a simultaneous accurate description of single phase regions and of saturation curves using this model or other classical EOS is a problem.

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Documento generato il 28/09/20 alle ore 04:54:05