Theoretical and computational investigations on thermodynamic properties, effective site diameters, and molecular free volume of carbon disulfide fluid

2006 ◽  
Vol 125 (15) ◽  
pp. 154505 ◽  
Author(s):  
Afshin Eskandari Nasrabad ◽  
Rozita Laghaei
1988 ◽  
Vol 92 (13) ◽  
pp. 3998-4006 ◽  
Author(s):  
A. Compostizo ◽  
A. Crespo Colin ◽  
M. R. Vigil ◽  
R. G. Rubio ◽  
M. Diaz Pena

1951 ◽  
Vol 43 (2) ◽  
pp. 506-510 ◽  
Author(s):  
L. J. O'Brien ◽  
W. J. Alford

Membranes ◽  
2020 ◽  
Vol 10 (12) ◽  
pp. 429
Author(s):  
Amal Mechergui ◽  
Alsu I. Akhmetshina ◽  
Olga V. Kazarina ◽  
Maria E. Atlaskina ◽  
Anton N. Petukhov ◽  
...  

To properly design ionic liquids (ILs) adopted for gases separation uses, a knowledge of ILs thermodynamic properties as well their solubilities with the gases is essential. In the present article, solubilities of CO2 and H2S in bis(2-Ethylhexyl)sulfosuccinate based ILs were predicted using the conductor like screening model for real solvents COSMO-RS. According to COSMO-RS calculations, the influence of the cation change was extensively analyzed. The obtained data are used for the prediction of adequate solvent candidates. Moreover, to understand the intrinsic behavior of gases solubility the free volume of the chosen ILs and their molecular interactions with respectively CO2 and H2S were computed. The results suggest that hydrogen bonding interactions in ILs and between ILs and the gases have a pivotal influence on the solubility.


ACS Omega ◽  
2019 ◽  
Vol 4 (14) ◽  
pp. 16121-16124 ◽  
Author(s):  
Xiao-Yu Chen ◽  
Ji Li ◽  
Chun-Sheng Jia

1990 ◽  
Vol 206 ◽  
Author(s):  
Hans J. Fecht

ABSTRACTA universal, accurate and simple method is developed to describe the thermodynamic properties of disordered grain boundaries in nanocrystalline metals. Based on a free volume approach at negative pressure of the universal equation of state, the maximum free volume, bulk modulus, specific heat at constant pressure, thermal expansion coefficient, excess enthalpy, excess entropy and free energy of grain boundaries are derived from well-known thermodynamic relationships. Describing nanocrystalline metals as a bimodal material with a grain boundary component and a crystalline component, their thermodynamic properties can then be estimated by appropriate scaling of the boundary-to-volume ratio.


ChemInform ◽  
2010 ◽  
Vol 24 (30) ◽  
pp. no-no
Author(s):  
V. GARCIA BAONZA ◽  
J. E. FERNANDEZ RUBIO ◽  
M. CACERES ALONSO ◽  
J. NUNEZ DELGADO

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