Critical point of gas-liquid type phase transition and phase equilibrium functions in developed two-component plasma model

被引:9
作者
Butlitsky, M. A. [1 ]
Zelener, B. B. [1 ,2 ]
Zelener, B. V. [1 ]
机构
[1] Russian Acad Sci, Joint Inst High Temp, Moscow 125412, Russia
[2] Moscow Engn Phys Inst, Moscow 115409, Russia
基金
俄罗斯科学基金会;
关键词
MONTE-CARLO; MOLECULAR SIMULATION; COEXISTENCE; INTEGRATION; FLUID;
D O I
10.1063/1.4886403
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
A two-component plasma model, which we called a " shelf Coulomb" model has been developed in this work. A Monte Carlo study has been undertaken to calculate equations of state, pair distribution functions, internal energies, and other thermodynamics properties. A canonical NVT ensemble with periodic boundary conditions was used. The motivation behind the model is also discussed in this work. The " shelf Coulomb" model can be compared to classical two-component (electronproton) model where charges with zero size interact via a classical Coulomb law. With important difference for interaction of opposite charges: electrons and protons interact via the Coulomb law for large distances between particles, while interaction potential is cut off on small distances. The cut off distance is defined by an arbitrary e parameter, which depends on system temperature. All the thermodynamics properties of the model depend on dimensionless parameters epsilon and gamma = beta e(2)n(1/3) (where beta = 1/k(B)T, n is the particle's density, k(B) is the Boltzmann constant, and T is the temperature) only. In addition, it has been shown that the virial theorem works in this model. All the calculations were carried over a wide range of dimensionless epsilon and gamma parameters in order to find the phase transition region, critical point, spinodal, and binodal lines of a model system. The system is observed to undergo a first order gas-liquid type phase transition with the critical point being in the vicinity of epsilon(crit) approximate to 13 (T-crit* approximate to 0.076), gamma(crit) approximate to 1.8 (nu(crit)* approximate to 0.17), P-crit* approximate to 0.39, where specific volume nu* = 1/gamma(3) and reduced temperature T* = epsilon(-1). (C) 2014 AIP Publishing LLC.
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页数:6
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