Modeling of P-ρ-T properties of ionic liquids using ISM equation of state: Application to pure component and binary mixtures

A review of methods is presented which allow to determine the P-V-T behaviour of gas mixtures. This review is based on the computations performed for about 2 200 P-V-T-X data of 12 binary mixtures. The method of combination of the equation-of-state constants, the Joffe method and the modified Bartlett rule proved to be the most suitable.

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Critical consolute point in hard-sphere binary mixtures: Effect of the value of the eighth and higher virial coefficients on its location

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc2009510 ◽

2010 ◽

Vol 75 (3) ◽

pp. 359-369 ◽

Cited By ~ 6

Author(s):

Mariano López De Haro ◽

Anatol Malijevský ◽

Stanislav Labík

Keyword(s):

Equation Of State ◽

Binary Mixtures ◽

Hard Sphere ◽

Hard Spheres ◽

Virial Coefficients ◽

Fluid Mixture ◽

Binary Fluid ◽

Virial Series ◽

Consolute Point ◽

Critical Constants

Various truncations for the virial series of a binary fluid mixture of additive hard spheres are used to analyze the location of the critical consolute point of this system for different size asymmetries. The effect of uncertainties in the values of the eighth virial coefficients on the resulting critical constants is assessed. It is also shown that a replacement of the exact virial coefficients in lieu of the corresponding coefficients in the virial expansion of the analytical Boublík–Mansoori–Carnahan–Starling–Leland equation of state, which still leads to an analytical equation of state, may lead to a critical consolute point in the system.

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How to Detect Possible Pitfalls in ePC-SAFT Modeling. 2. Extension to Binary Mixtures of 96 Ionic Liquids with CO2, H2S, CO, O2, CH4, N2, and H2

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.0c04485 ◽

2020 ◽

Vol 59 (49) ◽

pp. 21579-21591

Author(s):

Yunhao Sun ◽

Aatto Laaksonen ◽

Xiaohua Lu ◽

Xiaoyan Ji

Keyword(s):

Ionic Liquids ◽

Binary Mixtures

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On Using the BMCSL Equation of State to Renormalize the Onsager Theory Approach to Modeling Hard Prolate Spheroidal Liquid Crystal Mixtures

Entropy ◽

10.3390/e23070846 ◽

2021 ◽

Vol 23 (7) ◽

pp. 846

Author(s):

Donya Ohadi ◽

David S. Corti ◽

Mark J. Uline

Keyword(s):

Equation Of State ◽

Second Virial Coefficient ◽

Virial Coefficients ◽

Pure Component ◽

Excluded Volume ◽

Theory Approach ◽

Prolate Spheroidal ◽

Empirical Correction ◽

Prolate Spheroids ◽

Onsager Theory

Modifications to the traditional Onsager theory for modeling isotropic–nematic phase transitions in hard prolate spheroidal systems are presented. Pure component systems are used to identify the need to update the Lee–Parsons resummation term. The Lee–Parsons resummation term uses the Carnahan–Starling equation of state to approximate higher-order virial coefficients beyond the second virial coefficient employed in Onsager’s original theoretical approach. As more exact ways of calculating the excluded volume of two hard prolate spheroids of a given orientation are used, the division of the excluded volume by eight, which is an empirical correction used in the original Lee–Parsons resummation term, must be replaced by six to yield a better match between the theoretical and simulation results. These modifications are also extended to binary mixtures of hard prolate spheroids using the Boublík–Mansoori–Carnahan–Starling–Leland (BMCSL) equation of state.

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