A novel cubic equation of state of a flexible Zc

IF 2.8 3区工程技术 Q3 CHEMISTRY, PHYSICAL

Fluid Phase Equilibria Pub Date : 2025-07-07 DOI:10.1016/j.fluid.2025.114527

Lihang Bai , Yulong Ji , Haifeng Ma , Bohao Wu , Maogang He , Wenze Zhu

引用次数: 0

Abstract

Classical cubic equations of state (EoSs) cannot produce satisfactory predictions for dense-state fluids because of the missing molecular repulsion effect. This work introduces a newly developed cubic EoS of a flexible critical compressibility Z_c by incorporating a repulsion term. Its α-function is redefined and capable of reliable extrapolation throughout the entire temperature range. As straightforward as the Soave-Redlich-Kwong (SRK) EoS, all the necessary parameters of the new EoS can be determined using the critical properties (T_c, p_c, v_c) and acentric factors. Tested upon pure and multi-component fluids, the new EoS demonstrates superior robustness and accuracy compared to the SRK EoS.

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柔性Zc的一种新的三次状态方程

由于缺少分子斥力效应，经典的三次状态方程（eos）不能对密态流体产生令人满意的预测。本文通过引入排斥项，介绍了一个新开发的柔性临界压缩率Zc的三次方程。它的α-函数被重新定义，并能够在整个温度范围内可靠地外推。与Soave-Redlich-Kwong (SRK) EoS一样简单，新EoS的所有必要参数都可以使用临界性质（Tc, pc, vc）和离心因子来确定。在纯流体和多组分流体中进行的测试表明，与SRK EoS相比，新型EoS具有更高的稳健性和准确性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Fluid Phase Equilibria 工程技术-工程：化工

CiteScore

5.30

自引率

15.40%

发文量

223

审稿时长

53 days

期刊介绍： Fluid Phase Equilibria publishes high-quality papers dealing with experimental, theoretical, and applied research related to equilibrium and transport properties of fluids, solids, and interfaces. Subjects of interest include physical/phase and chemical equilibria; equilibrium and nonequilibrium thermophysical properties; fundamental thermodynamic relations; and stability. The systems central to the journal include pure substances and mixtures of organic and inorganic materials, including polymers, biochemicals, and surfactants with sufficient characterization of composition and purity for the results to be reproduced. Alloys are of interest only when thermodynamic studies are included, purely material studies will not be considered. In all cases, authors are expected to provide physical or chemical interpretations of the results. Experimental research can include measurements under all conditions of temperature, pressure, and composition, including critical and supercritical. Measurements are to be associated with systems and conditions of fundamental or applied interest, and may not be only a collection of routine data, such as physical property or solubility measurements at limited pressures and temperatures close to ambient, or surfactant studies focussed strictly on micellisation or micelle structure. Papers reporting common data must be accompanied by new physical insights and/or contemporary or new theory or techniques.