改进的交叉SRK EOS用于更准确地评估CO2+戊烷二元体系的热力学性质

IF 2.7 3区工程技术 Q3 CHEMISTRY, PHYSICAL

Fluid Phase Equilibria Pub Date : 2025-03-01 DOI:10.1016/j.fluid.2025.114409

Kexin Ren, Ao Dong, Yuhang Chen, Yiran Wang, Taotao Zhan, Maogang He, Ying Zhang

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引用次数: 0

摘要

中高温地区的CO2跨临界动力循环在工业热回收中越来越受到关注。目前，基于CO2的混合物，特别是CO2+戊烷二元混合物因其热效率高、操作压力低而受到越来越多的研究。基于此，高精度的热力学性质计算是必不可少的。本文建立了基于Kiselev交叉法的交叉SRK （CSRK）状态方程（EoS），并利用CSRK研究了戊烷和CO2+戊烷二元体系的相平衡性质、二阶热力学性质和单相区密度。研究表明，CSRK可以准确描述近临界区域工质的热力学性质，精确探索临界区域密度的变化规律，提高远临界区域热力学性质的计算精度，适合工程应用。CSRK显著提高了液体密度的计算精度，与多参数EoS相比，平均绝对相对偏差（AARD）降低了一半以上，为1.89%。此外，提出了一种新的二元混合物相平衡迭代求解方法，该方法具有更高的计算效率和更快的系统对不同扰动响应的评估，为未来的动力学分析提供了重要支持。

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An improved crossover SRK EOS for more accurate assessment of thermodynamic properties of CO2+pentane binary system

The CO₂ transcritical power cycles in medium-high temperature areas are gaining attention for industrial heat recovery. At present, increasing studies focus on CO₂-based mixtures, particularly the CO₂+pentane binary mixture, due to its high thermal efficiency and low operating pressure. Based on this, high-precision calculation of thermodynamic properties is essential. In this study, the crossover SRK (CSRK) equation of state (EoS) based on Kiselev's crossover method is established, then the phase equilibrium properties, second-order thermodynamic properties, and single-phase region density for pentane and CO₂+pentane binary system are investigated using CSRK. Our research reveals that CSRK can accurately describe the thermodynamic properties of working fluids in near-critical region, precisely explore the change law of critical region density, and improve calculation accuracy of thermodynamic properties in far-critical region, which is suitable for engineering application. The CSRK significantly improves the calculation accuracy on liquid density, reducing the average absolute relative deviation (AARD) by more than half to 1.89 % compared with multi-parameter EoS. Additionally, a new phase equilibrium iterative solution method of binary mixtures is proposed, which has higher calculation efficiency and faster evaluation of the response of system to different disturbances, providing important support for future dynamic analysis.

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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.