基于全局稳定性分析的相平衡计算
文献类型：学位论文
| 作者 | 朱玉山 |
| 学位类别 | 博士 |
| 答辩日期 | 1999-07-20 |
| 授予单位 | 中国科学院研究生院 |
| 导师 | 许志宏 |
| 关键词 | 稳定性 相平衡 全局优化 |
| 其他题名 | Calculation of Phase Equilibria Based on Global Stability Analysis |
| 学位专业 | 化工过程模拟的及计算 |
| 中文摘要 | 本文针对相稳定性分析问题线性约束及约束变量有界的特点，提出了一种在邻域内符合Markov链理论的相邻状态产生办法。在采用Metropolis接受准则及合理选取“冷却进度表”的基础上，发展了一种改进的模拟退火算法。应用这个算法分析了由NRTL或UNIQUAC活度系数方程描述的液相稳定性分析问题及由PR或SRK状态方程描述的高压相稳定性分析问题。分支限界法是近年来发展起来的一种用于求解全局优化问题的确定性算法。在本文中，针对由UNIQUAC或UNIFAC活度系数方程描述的液相稳定性分析问题，我们发展了一种用于最小化切平面距离函数的改进的分支限界法。对于高压下的相稳定性分析问题，本文推导了SRK状态方程描述的切平面距离函数的导函数结构，证明了切平面距离函数的Lipschitz常数可以在计算的精度内得到。在结合稳定性分析进行相平衡计算的过程中，本文发现体系相分裂不是导致体系Gibbs自由能下降的唯一原因。因为在同样的相数下，各组分在各个相中的不同分布同样导致体系的Gibbs自由能下降，而现存的相稳定性分析方法还不能区分这两种情况。 |
| 英文摘要 | In this paper, three global optimization methods for the global stability analysis, i.e. a revised simulated annealing algorithm, a revised branch and bound algorithm, and a Lipschitz algorithm, were developed in order to obtain the global minimum of the tangent plane distance function. Finally, the global solution of the phase equilibrium problem was arrived at on the basis of above minimization results by using the Newton-Raphson method. A revised simulated annealing algorithm is developed for searching the global optimal solutions for the multi-valley phenomena which generally exist in the phase stability problems with continuous variables. The Gibbs free energy criterion is modeled by the NRTL or UNIQUAC activity coefficient equations for the liquid phase stability analysis, and by SRK or PR equations of state whilst facing with high pressure phase equilibrium problems. A revised branch and bound algorithm based on the idea of Horst (1976) is developed to minimize the tangent plane distance function to determine the thermodynamic stability of a postulated solution for the liquid phase equilibrium described by UNIQUAC or UNIFAC activity coefficient equations. After analyzing and reformulating the structure of the derivative function of the tangent plane distance function described by the SRK equation of state, it is demonstrated that the Lipschitz constant of the tangent plane distance function can be obtained in the calculation precision. If a postulated solution is found thermodynamically unstable, the change of the number of phases may be impossible to obtain the true equilibrium solution, because a solution with the same number of phases as the postulated one, but with a different distribution of the components within those phases may be the true equilibrium solution, this case states the importance of locating the global minimum of the Gibbs free energy when two or more minima have the same number of phases. |
| 语种 | 中文 |
| 公开日期 | 2013-09-27 |
| 页码 | 148 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/1969]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 推荐引用方式 GB/T 7714 | 朱玉山. 基于全局稳定性分析的相平衡计算[D]. 中国科学院研究生院. 1999. |
入库方式： OAI收割
来源：过程工程研究所
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