<br>纯二氧化碳性质和二元混合物（二氧化碳/水和二氧化碳/乙醇）相平衡状态方程模型的筛选,Journal of Chemical & Engineering Data

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纯二氧化碳性质和二元混合物（二氧化碳/水和二氧化碳/乙醇）相平衡状态方程模型的筛选
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2023-12-29 , DOI: 10.1021/acs.jced.3c00528
Cláudia F. Almeida _{1,

2,

3} , Yaidelin A. Manrique _{1,

3} , José Carlos B. Lopes _{1,

3} , Fernando G. Martins _{2,

3} , Madalena M. Dias _{1,

3}

Affiliation

适当的热力学模型对于模拟涉及二氧化碳的多种工业过程至关重要。这项工作使用 Aspen Plus 软件中提供的状态方程来确定二氧化碳的热力学和传输特性（密度、粘度和比热容）及其在与水和乙醇的二元混合物中的平衡。将结果与温度为 273 至 353 K、压力高达 30 MPa 的文献数据进行了比较。 REFPROP 和 GERG-2008 模型给出了二氧化碳纯特性的最佳结果，总体相对误差小于 0.5%。其他模型也产生了准确的预测，全球平均绝对值相对误差小于5%。然而，必须谨慎使用这些模型，因为某些区域可能会导致明显更大的误差。关于二元混合物（二氧化碳/水和二氧化碳/乙醇）的平衡，没有模型准确地涵盖此处考虑的整个压力和温度范围。对于二氧化碳/水二元体系，CO ₂密相的最差VLE预测通常由PRMHV2模型给出； GERG-2008 和 PR-BM 通常会高估富水相中的水摩尔分数。 PRMHV2 和 REFPROP 模型通常无法对二氧化碳/乙醇二元系统进行 VLE 预测。一般来说，在远离CO ₂临界温度的温度下可以获得更好的预测。

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Screening of Equation-of-State Models for Pure Carbon Dioxide Properties and Binary Mixture (Carbon Dioxide/Water and Carbon Dioxide/Ethanol) Phase Equilibrium

An appropriate thermodynamic model is vital for simulating the multiple industrial processes involving carbon dioxide. This work used equations of state available in the Aspen Plus software to determine carbon dioxide’s thermodynamic and transport properties (density, viscosity, and specific heat capacity) and its equilibrium in binary mixtures with water and ethanol. Results were compared with literature data for temperatures from 273 to 353 K and pressures up to 30 MPa. The best results for carbon dioxide’s pure properties were given by the REFPROP and GERG-2008 models, with less than 0.5% overall relative error. Other models also produced accurate predictions within global average absolute value of the relative error of less than 5%. Nevertheless, these models must be cautiously used, as some zones might lead to significantly larger errors. Regarding the equilibrium of binary mixtures (carbon dioxide/water and carbon dioxide/ethanol), no model accurately covered the entire pressure and temperature range here considered. For the carbon dioxide/water binary system, the worst VLE prediction of the CO₂-dense phase was usually given by the PRMHV2 model; GERG-2008 and PR-BM commonly overestimate the water mole fraction in the water-rich phase. PRMHV2 and REFPROP models typically fail VLE predictions regarding the carbon dioxide/ethanol binary system. Generally, better predictions were obtained at temperatures further from CO₂’s critical temperature.

更新日期：2023-12-29

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