ACTIVITY COEFFICIENT

2006 ◽  
Vol a ◽  
Author(s):  
G. Saville
Keyword(s):  
Activity Coefficient

Effect of association in the vapour phase on the value of activity coefficient

1979 ◽  
Vol 44 (4) ◽  
pp. 1187-1196 ◽  
Author(s):  
Ivona Malijevská
Keyword(s):  
Activity Coefficient ◽  
Binary Systems ◽  
Vapour Phase

The relations were obtained between the thermodynamically consistent activity coefficient of associating component and the activity coefficient calculated irrespective of the association in the vapour phase. The analysis is limited to binary systems with one associating component and is given for the two cases: (a) the associating component dimerizes only, (b) the associating component forms, in addition to a dimer, one higher associate, too.

Revisiting the Classic Activity Coefficient Models

2021 ◽  
Author(s):  
Walter W. Focke ◽  
Stefan Endres ◽  
Elizabeth L. du Toit ◽  
Mattheüs T. Loots ◽  
Roelof L. J. Coetzer
Keyword(s):  
Activity Coefficient ◽  
Activity Coefficient Models

Overview of Activity Coefficient of Thiophene at Infinite Dilution in Ionic Liquids and their Modeling Using COSMO-RS

2016 ◽  
Vol 55 (3) ◽  
pp. 788-797 ◽  
Author(s):  
Pranesh Matheswaran ◽  
Cecilia Devi Wilfred ◽  
Kiki A. Kurnia ◽  
Anita Ramli
Keyword(s):  
Ionic Liquids ◽  
Activity Coefficient ◽  
Infinite Dilution

On the Calculation of Transition State Activity Coefficient and Solvent Effects on Chemical Reactions

1998 ◽  
Vol 63 (12) ◽  
pp. 1969-1976 ◽  
Author(s):  
Alvaro Domínguez ◽  
Rafael Jimenez ◽  
Pilar López-Cornejo ◽  
Pilar Pérez ◽  
Francisco Sánchez
Keyword(s):  
Activity Coefficient ◽  
Transition State ◽  
Chemical Reactions ◽  
Solvent Effects ◽  
Transition State Theory ◽  
Reaction Medium ◽  
State Theory ◽  
Precursor Complex ◽  
State Activity ◽  
Classical Transition

Solvent effects, when the classical transition state theory (TST) holds, can be interpreted following the Brønsted equation. However, when calculating the activity coefficient of the transition state, γ# it is important to take into account that this coefficient is different from that of the precursor complex, γPC. The activity coefficient of the latter is, in fact, that calculated in classical treatments of salt and solvent effects. In this paper it is shown how the quotients γ#/γPC change when the reaction medium changes. Therefore, the conclusions taken on the basis of classical treatments may be erroneous.

Improved QSPR generalized interaction parameters for the nonrandom two-liquid activity coefficient model

2013 ◽  
Vol 339 ◽  
pp. 20-30 ◽  
Author(s):  
Solomon Gebreyohannes ◽  
Krishna Yerramsetty ◽  
Brian J. Neely ◽  
Khaled A.M. Gasem
Keyword(s):  
Activity Coefficient ◽  
Interaction Parameters ◽  
Activity Coefficient Model
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