The performance of UNIFAC and related group contribution models part I. Prediction of infinite dilution activity coefficients

Halime Ö Paksoy; Sermin Örnektekin; Bilgin Balcl; Yaşar Demirel

doi:10.1016/S0040-6031(96)02958-9

The performance of UNIFAC and related group contribution models part I. Prediction of infinite dilution activity coefficients

Halime Ö Paksoy^*
, Sermin Örnektekin
, Bilgin Balcl
, Yaşar Demirel

^*Corresponding author for this work

King Fahd University of Petroleum & Minerals

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

8 Scopus citations

Abstract

Infinite dilution activity coefficients have been calculated for 24 systems including highly non-ideal and nearly non-ideal using original, modified UNIFAC and UNIFAC-FV models. The calculations are compared with experimental results. The performance of the models in predictions and the significance of free volume effects on solvent activities in solutions containing small compounds are discussed.

Original language	English
Pages (from-to)	235-249
Number of pages	15
Journal	Thermochimica Acta
Volume	287
Issue number	2
DOIs	https://doi.org/10.1016/S0040-6031(96)02958-9
State	Published - 1 Oct 1996

Keywords

Activity coefficient
Infinite dilution
UNIFAC
UNIFAC-FV

ASJC Scopus subject areas

Instrumentation
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1016/S0040-6031(96)02958-9

Cite this

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title = "The performance of UNIFAC and related group contribution models part I. Prediction of infinite dilution activity coefficients",

abstract = "Infinite dilution activity coefficients have been calculated for 24 systems including highly non-ideal and nearly non-ideal using original, modified UNIFAC and UNIFAC-FV models. The calculations are compared with experimental results. The performance of the models in predictions and the significance of free volume effects on solvent activities in solutions containing small compounds are discussed.",

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AU - Paksoy, Halime Ö

AU - Örnektekin, Sermin

AU - Balcl, Bilgin

AU - Demirel, Yaşar

PY - 1996/10/1

Y1 - 1996/10/1

N2 - Infinite dilution activity coefficients have been calculated for 24 systems including highly non-ideal and nearly non-ideal using original, modified UNIFAC and UNIFAC-FV models. The calculations are compared with experimental results. The performance of the models in predictions and the significance of free volume effects on solvent activities in solutions containing small compounds are discussed.

AB - Infinite dilution activity coefficients have been calculated for 24 systems including highly non-ideal and nearly non-ideal using original, modified UNIFAC and UNIFAC-FV models. The calculations are compared with experimental results. The performance of the models in predictions and the significance of free volume effects on solvent activities in solutions containing small compounds are discussed.

KW - Activity coefficient

KW - Infinite dilution

KW - UNIFAC

KW - UNIFAC-FV

UR - https://www.scopus.com/pages/publications/0041113076

U2 - 10.1016/S0040-6031(96)02958-9

DO - 10.1016/S0040-6031(96)02958-9

M3 - Article

AN - SCOPUS:0041113076

SN - 0040-6031

VL - 287

SP - 235

EP - 249

JO - Thermochimica Acta

JF - Thermochimica Acta

IS - 2

ER -

The performance of UNIFAC and related group contribution models part I. Prediction of infinite dilution activity coefficients

Abstract

Keywords

ASJC Scopus subject areas

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