Standard

Molecular modeling in the search of improved equation of state. / Smirnova, N. A.; Victorov, A. I.

In: Fluid Phase Equilibria, Vol. 82, No. pt 1, 02.1993, p. 333-344.

Research output: Contribution to journal › Article › peer-review

Harvard

Smirnova, NA & Victorov, AI 1993, 'Molecular modeling in the search of improved equation of state', Fluid Phase Equilibria, vol. 82, no. pt 1, pp. 333-344. https://doi.org/10.1016/0378-3812(93)87158-W

APA

Smirnova, N. A., & Victorov, A. I. (1993). Molecular modeling in the search of improved equation of state. Fluid Phase Equilibria, 82(pt 1), 333-344. https://doi.org/10.1016/0378-3812(93)87158-W

Vancouver

Smirnova NA, Victorov AI. Molecular modeling in the search of improved equation of state. Fluid Phase Equilibria. 1993 Feb;82(pt 1):333-344. https://doi.org/10.1016/0378-3812(93)87158-W

Author

Smirnova, N. A. ; Victorov, A. I. / Molecular modeling in the search of improved equation of state. In: Fluid Phase Equilibria. 1993 ; Vol. 82, No. pt 1. pp. 333-344.

BibTeX

@article{e911a86f29a545009cf7e36f6bf69854,
title = "Molecular modeling in the search of improved equation of state",
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 theoretically sound 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.",
author = "Smirnova, {N. A.} and Victorov, {A. I.}",
year = "1993",
month = feb,
doi = "10.1016/0378-3812(93)87158-W",
language = "English",
volume = "82",
pages = "333--344",
journal = "Fluid Phase Equilibria",
issn = "0378-3812",
publisher = "Elsevier",
number = "pt 1",

}

RIS

TY - JOUR

T1 - Molecular modeling in the search of improved equation of state

AU - Smirnova, N. A.

AU - Victorov, A. I.

PY - 1993/2

Y1 - 1993/2

N2 - 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 theoretically sound 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.

AB - 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 theoretically sound 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.

UR - http://www.scopus.com/inward/record.url?scp=0027544526&partnerID=8YFLogxK

U2 - 10.1016/0378-3812(93)87158-W

DO - 10.1016/0378-3812(93)87158-W

M3 - Article

AN - SCOPUS:0027544526

VL - 82

SP - 333

EP - 344

JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

SN - 0378-3812

IS - pt 1

ER -

ID: 10847683