Efficient optimization-based design for the separation of heterogeneous azeotropic mixtures
Efficient optimization-based design for the separation of heterogeneous azeotropic mixtures
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DOI：
10.1016/j.compchemeng.2014.03.012
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发表时间：
2015-01-02
影响因子：
4.3
通讯作者：
Marquardt, Wolfgang
中科院分区：
文献类型：
--
作者：
Skiborowski, Mirko;Harwardt, Andreas;Marquardt, Wolfgang
基于模型的非均相共沸混合物分离过程设计是一项具有挑战性的任务。平衡计算解的多样性以及塔板上均相和非均相混合物之间的势能转换引起的不连续性使确定性优化的应用变得非常复杂。本文提出了一种新的计算方法，在优化的每一次迭代中可靠地确定相稳定和正确的平衡解。该方法将优化问题分解为一般的超结构模型和用于平衡和热焓计算的隐式模型，并通过外函数将其集成到优化问题中。通过可靠的同伦延拓算法确定了系统的相态和平衡解。另外，平衡解和热焓计算的重新表述允许克服不连续性问题。不同的案例研究说明了该方法的适用性和潜力。(C)2014爱思唯尔有限公司。保留所有权利。
Model-based design of separation processes for heterogeneous azeotropic mixtures is a challenging task. The multiplicity of the solutions of equilibrium calculations and the discontinuity due to the potential switching between homogeneous and heterogeneous mixtures on a tray severely complicate the application of deterministic optimization. This paper presents a novel computational approach to reliably determine phase stability and the correct equilibrium solutions in every iteration of the optimization. The approach builds on the decomposition of the optimization problem into a generic superstructure model and an implicit model for equilibrium and enthalpy calculations, which is integrated into the optimization problem by means of an external function. The phase states and equilibrium solutions are determined by means of a reliable homotopy continuation algorithm. An additional reformulation of equilibrium solutions and enthalpy calculations allows overcoming the discontinuity problems. Different case studies illustrate the applicability and show the potential of the proposed method. (C) 2014 Elsevier Ltd. All rights reserved.