Optimization of crossover SRK equation of state for thermodynamic properties calculation of CO2

IF 2.8 3区工程技术 Q3 CHEMISTRY, PHYSICAL Fluid Phase Equilibria Pub Date : 2024-08-05 DOI:10.1016/j.fluid.2024.114200

Ao Dong, Yuhang Chen, Taotao Zhan, Kun Hou, Maogang He, Ying Zhang

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Abstract

In recent years, the CO₂ super/transcritical power cycle has gained significant attention as the most widely studied power cycle. The accurate thermodynamic properties data is very important for cycle design and performance analysis. In this study, the Kiselev's crossover method based on the renormalization group theory is used to improve the classic SRK equation of state in non-critical region and reproduce the critical fluctuation phenomenon in critical region. The nonlinear equations method and interior-point method are used in the parameter fitting of crossover SRK (CSRK) to get the optimal parameters. The replaced method avoids the problem that Newton iteration method is prone to divergence and falling into local optima. The thermodynamic properties of CO₂ including the VLE properties, heat capacity and speed of sound are calculated by CSRK, respectively. The results show the calculation of the non-critical region is improved, and the critical fluctuation phenomenon in the near-critical region is described accurately, especially the second-order thermodynamic properties calculation results is improved from 3.65 % to 2.80 % compared with our previous work.

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优化用于计算二氧化碳热力学性质的交叉 SRK 状态方程

近年来，一氧化碳超/跨临界动力循环作为研究最为广泛的动力循环受到了极大关注。准确的热力学特性数据对于循环设计和性能分析非常重要。本研究采用基于重正化群理论的 Kiselev 交叉法改进了非临界区的经典 SRK 状态方程，并再现了临界区的临界波动现象。在交叉 SRK（CSRK）的参数拟合中使用了非线性方程法和内点法，以获得最优参数。被替代的方法避免了牛顿迭代法容易发散和陷入局部最优的问题。CSRK 分别计算了 CO 的热力学性质，包括性质、热容量和声速。结果表明，非临界区的计算得到了改进，近临界区的临界波动现象得到了准确的描述，特别是二阶热力学性质计算结果与以前的工作相比，从 3.65% 提高到 2.80%。

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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.