| 用最小自由能法计算液液分层体系的相平衡 |
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| 引用本文： | 刘福祯,苏健民.用最小自由能法计算液液分层体系的相平衡[J].清华大学学报(自然科学版),1986(6). |
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| 作者姓名： | 刘福祯 苏健民 |
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| 作者单位： | 化学工程系
(刘福祯)，化学工程系(苏健民) |
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| 摘 要： | 从热力学第二定律出发，提出用体系的总自由能直接极小化的方法，计算液液分层 体系的相平衡，可以克服前人所使用的类似汽液平衡闪蒸计算方法所遇到的困难。木文采用修正ＵＮＩＱＵＡＣ模型来计算液相活度系数。在求解体系总自由能极小点的过程中， 通过适当的变换和处理，使用无约束共轭梯度法，成功地解决了多约束的非线性规划问 题。对有代表性的１１个液液分层体系做了相平衡计算，结果与实验数据吻合较好，为 化工过程的设计和优化提供了新的方法。
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| 关 键 词： | 液液平衡 相平衡计算 最小自由能 UNIQUAC模型 |
Computation of Liquid-Liquid Equilibrium of Partially Miscible Liquid System by the Minimum Gibbs Energy Method |
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| Liu Fuzhen,Su Jianmin.Computation of Liquid-Liquid Equilibrium of Partially Miscible Liquid System by the Minimum Gibbs Energy Method[J].Journal of Tsinghua University(Science and Technology),1986(6). |
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| Authors: | Liu Fuzhen Su Jianmin |
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| Institution: | Department of Chemical Engineering |
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| Abstract: | Based on the Second Law of Thermodynamics, this paper presents a new method in which the total Gibbs energy of the system is minimized to calculate the liquid-liquid equilibrium of the partially miscible liquid system. The Minimum Gibbs Energy method can solve problems encountered in method previously used, such as the vapor liquid flash calculation. The modified UNIQUAC model is used to calculate the activity coefficients. The procedure of minimizing the Gibbs Energy of the system, is reasonably sim plified by mathematical transformation so that a simple conjugate gradient algorithm can be applied to solve the nonlinear programming problem with several constraints. 11 typical liquid-liquid equilibrium systems were calculated, and the results fit the experimental data fairly well, showing that the minimum Gibbs energy method proposed gives a new approach to chemical process design and optimization. |
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| Keywords: | liquid-liquid equilibrium computation of phase equilibrium minimum Gibbs energy UNIQUAC model |
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