Statistical fluid theory for systems of variable range interacting via triangular-well pair potential

被引:6
|
作者
Trejos, Victor M. [1 ]
Martinez, Alejandro [2 ]
Valadez-Perez, Nestor E. [3 ]
机构
[1] Univ Nacl Autonoma Mexico, Inst Quim, Ciudad Mexico Apdo Postal 70213, Coyoacan 04510, DF, Mexico
[2] Univ Guanajuato, Div Ciencias & Ingn, Campus Leon,Loma Bosque 103, Guanajuato 37150, Mexico
[3] IIT, Dept Chem & Biol Engn, 3440 S Dearborn St, Chicago, IL 60616 USA
关键词
Barker-Henderson; Equation of state; Triangular-well fluids; EQUATION-OF-STATE; MONTE-CARLO-SIMULATION; RADIAL-DISTRIBUTION FUNCTION; VAPOR-LIQUID-EQUILIBRIUM; SQUARE-WELL; PERTURBATION-THEORY; MOLECULAR SIMULATION; INTEGRAL-EQUATION; CRITICAL-BEHAVIOR; PHASE-EQUILIBRIA;
D O I
10.1016/j.molliq.2018.05.116
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The interest for describing the thermodynamic properties of fluids is growing in many fields from pure theoretical to those with technological applications. In this work, we have developed an analytical expression for the Helmholtz free energy of particles interacting via the triangular-well pair potential (TW), in the Barker-Henderson framework. This theoretical equation of state (EoS) uses the analytical radial distribution function of the hard-sphere (HS) fluid coupled with the Barker-Henderson perturbation theory. Thermodynamic properties as vapor-liquid coexistence, vapor pressures, internal energies and critical properties are obtained for attractive particles whose interaction potential range lies between 1.2 <= lambda <= 2.6. The performance of the TW equation of state is assessed by comparing with Monte Carlo (MC) simulation data. Finally, this theoretical approach is used to model real fluids as methane, oxygen, fluoromethane and hydrogen sulfide, in a wide range of temperature and pressures. (C) 2018 Elsevier B.V. All rights reserved.
引用
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页码:337 / 346
页数:10
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