Perspective for Extended Group-Contribution Methods for the Prediction of Activity Coefficients Accounting for Sterical Effects. Linking UNIFAC and the Group Vector Space Method

2008 ◽  
Vol 47 (24) ◽  
pp. 10080-10085
Author(s):  
Stephan Machefer ◽  
Martin Grasemann ◽  
Klaus Schnitzlein
Keyword(s):  
Vector Space ◽  
Activity Coefficients ◽  
Group Contribution ◽  
Group Contribution Methods ◽  
Extended Group ◽  
Space Method

Comparison of different methods for estimating activity coefficients in binary mixtures of hydrocarbons

1981 ◽  
Vol 46 (7) ◽  
pp. 1541-1548
Author(s):  
Vladimír Dohnal
Keyword(s):  
Activity Coefficient ◽  
Binary Mixtures ◽  
Activity Coefficients ◽  
Regular Solution Model ◽  
Pure Component ◽  
Group Contribution ◽  
Coefficient Estimation ◽  
The Mean ◽  
Group Contribution Methods ◽  
The One

The accuracy and reliability of a number of different methods for predicting activity coefficients in binary solutions of hydrocarbons was tested. Various modifications of the regular solution model and of the one-parameter Wilson equation and various group-contribution methods were applied to a set of 53 binary mixtures of hydrocarbons of different types. The agreement of the calculated and experimental dependence of activity coefficients on composition was considered. On using the best methods requiring the knowledge of pure component properties only, it is necessary to expect on the average an error of 7% in the value of activity coefficient. When using the group-contribution methods, which employ condensed information on related systems for the prediction, the mean error in the activity coefficient estimation lies about 4%.

scholarly journals Selecting Critical Properties of Terpenes and Terpenoids through Group-Contribution Methods and Equations of State

2017 ◽  
Vol 56 (35) ◽  
pp. 9895-9905 ◽  
Author(s):  
Mónia A. R. Martins ◽  
Pedro J. Carvalho ◽  
André M. Palma ◽  
Urszula Domańska ◽  
João A. P. Coutinho ◽  
...  
Keyword(s):  
Equations Of State ◽  
Group Contribution ◽  
Critical Properties ◽  
Group Contribution Methods
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