Patel-Teja-Valderrama状态方程热力学一致Alpha函数的建立

A. P. Almajose, M. L. Dalida
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引用次数: 0

摘要

摘要:利用Patel-Teja-Valderrama状态方程,建立了一个新的具有热力学一致参数值的四参数α函数,用于预测蒸汽压。考虑到一般三次状态方程中确定广义参数的极限条件所提供的热力学一致性规则,推导出了α函数的形式。利用MATLAB编写了执行非线性程序的代码,该程序可以最小化dippr估计的三相点之间的蒸汽压力之间的误差,直到α函数蒸汽压力预测的临界点为止。通过对导数设置非线性约束,计算出热力学一致的参数,保证了函数的单调递减特性。将该模型的性能与工业和过程仿真程序中常用的其他五种模型进行了比较,发现该模型在处理极性流体时提供了更好的准确性。此外,在估计非极性和轻流体时,发现其性能可与某些模型相媲美。与文献中使用的其他模型相比,用于验证模型性能的统计分析包括计算r平方、调整r平方、预测r平方、绝对平均偏差、均方根误差以及目测检查。该研究还包括确定过程模拟中常用的20种不同流体的热力学一致参数值。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Development of A Thermodynamically-Consistent Alpha Function for the Patel-Teja-Valderrama Equation of State
Abstract—A new, four-parameter alpha function with thermodynamically consistent parameter values is developed for predicting vapor pressures using the Patel-Teja-Valderrama equation of state. The form of the alpha function was derived by keeping in mind the thermodynamic consistency rules as provided by the limiting conditions in the determination of the generalized parameters in a generic cubic equation of state. Using MATLAB, codes executing a nonlinear program that would minimize errors between DIPPR-estimated vapor pressures between the triple point until the critical point from the alpha function’s vapor pressure prediction has been developed. Thermodynamically consistent parameters were calculated by setting up nonlinear constraints for the derivatives, assuring a monotonically decreasing behavior for the function. The performance of the model was compared with five other models commonly used in industries and process simulation programs and is found to provide better accuracy in comparison when working with polar fluids. Further, its performance is found to be comparable to some models when estimating nonpolar and light fluids. The statistical analyses used to verify the performance of the model in comparison with the other models used in literature include the calculation of the r-squared, adjusted r-squared, predicted r-squared, absolute average deviation, root mean square errors, and by visual inspection. The study also included the determination of thermodynamically consistent parameter values for twenty different fluids commonly used in process simulations.
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