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

Application of Extended UNIQUAC Activity Coefficient Model for Predicting the Clathrate Hydrate Stability Conditions

2019 ◽  
Vol 64 (11) ◽  
pp. 4647-4657 ◽  
Author(s):  
Fatemeh Sharifi ◽  
Jafar Javanmardi ◽  
Sara Aftab ◽  
Arezoo Azimi ◽  
Amir H. Mohammadi
Keyword(s):  
Activity Coefficient ◽  
Clathrate Hydrate ◽  
Stability Conditions ◽  
Activity Coefficient Model ◽  
Extended Uniquac ◽  
Hydrate Stability

scholarly journals Application of COSMO-RS Method for the Prediction of Liquid-Liquid Equilibrium of Water/n-Dodecane/1-Butanol

2014 ◽  
Vol 2014 ◽  
pp. 1-6 ◽  
Author(s):  
S. Balasubramonian ◽  
Shekhar Kumar ◽  
D. Sivakumar ◽  
U. Kamachi Mudali
Keyword(s):  
Activity Coefficient ◽  
Mutual Solubility ◽  
Solubility Data ◽  
Interaction Parameters ◽  
Binary Interaction ◽  
Liquid Equilibrium ◽  
Model Interaction ◽  
Uniquac Model ◽  
Unifac Model ◽  
Lle Data

The liquid-liquid equilibrium (LLE) for the system water-dodecane-butanol was estimated using the UNIQUAC model. In the UNIQUAC model interaction parameters were estimated from the vapor-liquid equilibrium (VLE) and LLE data of their constituent binary pairs. The water-dodecane-butanol LLE was experimentally measured at 298.15 K. Phase stability constraints were taken into account while calculating the binary interaction parameters from the mutual solubility data. The COSMO-RS method was used to estimate the activity coefficient in the miscible binary pair. The ternary LLE composition was predicted using the experimental VLE data as well as using the COSMO-RS calculated activity coefficient data along with the experimental mutual solubility data. In the latter case the root mean square deviation (RMSD) for the distribution of butanol between aqueous and organic phase is 0.24%. The corresponding UNIFAC model prediction is 7.63%.

A new activity coefficient model for the solution of molecular solute + ionic liquid

2019 ◽  
Vol 493 ◽  
pp. 144-152 ◽  
Author(s):  
Lihang Bai ◽  
Maogang He ◽  
Xiangyang Liu ◽  
Zheng Ye
Keyword(s):  
Ionic Liquid ◽  
Activity Coefficient ◽  
Activity Coefficient Model
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