Group Contribution Techniques: Predicting the Properties of Energetic Chemicals

2010 ◽  
pp. 169-178 ◽  
Keyword(s):  
Group Contribution

Vapour-Liquid Equilibria and Excess Thermodynamic Properties in Binary Systems of Cyclopentanone + Chloroalkanes in View of the Disquac and Unifac Group Contribution Models Extention

2008 ◽  
Vol 59 (5) ◽  
Author(s):  
Alexandru Birhala ◽  
Dana Dragoescu ◽  
Mariana Teodorescu
Keyword(s):  
Binary Systems ◽  
Excess Enthalpy ◽  
Group Contribution ◽  
Excess Properties ◽  
Structural Effects ◽  
Liquid Equilibrium ◽  
Excess Thermodynamic Properties ◽  
Different Types ◽  
Thermodynamic Excess Properties ◽  
Thermodynamic Excess

The data available in the literature and our recent data on vapour�liquid equilibrium (VLE), excess Gibbs energy, GE, and excess enthalpy, HE, for the homologous series of cyclopentanone + chloroalkane mixtures are examined in terms of the predictive group contribution models DISQUAC and UNIFAC. In our treatment, we present also how the structural effects and different types of molecular interactions are reflected by the thermodynamic excess properties of the mentioned series mixtures.

scholarly journals A group contribution-based prediction method for the electrical conductivity of ionic liquids

2020 ◽  
Vol 509 ◽  
pp. 112462
Author(s):  
Yuqiu Chen ◽  
Yingjun Cai ◽  
Kaj Thomsen ◽  
Georgios M. Kontogeorgis ◽  
John M. Woodley
Keyword(s):  
Electrical Conductivity ◽  
Ionic Liquids ◽  
Prediction Method ◽  
Group Contribution

Correlation of pure component Gibbs energy. Using UNIFAC group contribution

AIChE Journal ◽  
1979 ◽  
Vol 25 (1) ◽  
pp. 203-205 ◽  
Author(s):  
Aage Fredenslund ◽  
Peter Rasmussen
Keyword(s):  
Gibbs Energy ◽  
Pure Component ◽  
Group Contribution

Vapour pressures of coal liquids estimated using a group contribution equation of state

Fuel ◽  
1989 ◽  
Vol 68 (11) ◽  
pp. 1388-1393 ◽  
Author(s):  
Ladan E. Vajdi ◽  
David T. Allen
Keyword(s):  
Equation Of State ◽  
Group Contribution ◽  
Coal Liquids
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