Global Optimization Approach in Chemical Engineering Design and Science Problems

在最近的过去， 理论发展，算法研究， 计算测试和化学工程设计， 局部优化算法的科学应用 非线性规划（NLP）和混合整数非线性 编程（MINLP）问题。 现在有一些 局部优化算法及其有效性 适用于小型、中型和大型 规模问题。 关于这方面的系统研究 理论的发展，算法的方法， 计算测试及其在化学工程中的应用 全局优化方法的设计和科学问题。 本研究的目标是发展和应用理论， 算法和计算技术， 优化问题（GOP），出现在各种 化学工程设计和科学应用。 PI将研究几类全局优化 使用原始松弛对偶全局优化的问题 算法 具体而言，他将重点关注：（1）新 松弛对偶的性质和新公式 （2）相态设计和化学反应设计 平衡系统;（3）分离的过程合成， 热回收网络和反应器系统;（4）双层线性 过程设计中出现的非线性优化问题 （5）最佳结构的确定 原子和分子的簇;和（6）发展一个 并行原始松弛对偶方法。

A lot of effort in the recent past has been expended on theoretical development, algorithmic investigation, computational testing, and chemical engineering design and science applications of the local optimization algorithms for nonlinear programming (NLP) and mixed-integer nonlinear programming (MINLP) problems. There now exist a number of local optimization algorithms and their efficient implementations that are used for small, medium, and large scale problems. There has been much less systematic study on the theoretical developments, algorithmic methodology, computational testing, and application to chemical engineering design and science problems of global optimization approaches. The goal of this research is to develop and apply theoretical, algorithmic and computational techniques for global optimization problems (GOP) that arise in a variety of chemical engineering design and science applications. The PI will investigate several classes of global optimization problems using a primal-relaxed dual global optimization algorithm. In particular, he will focus on: (1) new properties and new formulations of the relaxed dual subproblems; (2) the design of phase and chemical reaction equilibrium systems; (3) the process synthesis of separations, heat recovery networks and reactor systems; (4) bilevel linear and nonlinear optimization problems arising in process design and control; (5) optimum structure(s) determination of clusters of atoms and molecules; and (6) the development of a parallel primal relaxed dual, GOP, approach.