We propose a novel process synthesis framework that combines product distribution optimization of chemical reactions and superstructure optimization of the process flowsheet. A superstructure with a set of technology/process alternatives is first developed. Next, the product distributions of the involved chemical reactions are optimized to maximize the profits of the effluent products. Extensive process simulations are then performed to collect high-fidelity process data tailored to the optimal product distributions. Based on the simulation results, a superstructure optimization model is formulated as a mixed-integer nonlinear program (MINLP) to determine the optimal process design. A tailored global optimization algorithm is used to efficiently solve the large-scale nonconvex MINLP problem. The resulting optimal process design is further validated by a whole-process simulation. The proposed framework is applied to a comprehensive superstructure of an integrated shale gas processing and chemical manufacturing process, which involves steam cracking of ethane, propane, n-butane, and i-butane. © 2017 American Institute of Chemical Engineers AIChE J, 2017

中文翻译：

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用于产品合成优化的过程综合的新的上层结构优化范例：在页岩气加工和化学制造过程集成中的应用

我们提出了一种新颖的过程综合框架，该框架结合了化学反应的产物分布优化和过程流程图的上层结构优化。首先开发出具有一系列技术/工艺替代方案的上层建筑。接下来，优化所涉及的化学反应的产物分布，以使废水产物的利润最大化。然后进行广泛的过程仿真，以收集针对最佳产品分配量身定制的高保真过程数据。根据仿真结果，将上层结构优化模型公式化为混合整数非线性程序（MINLP），以确定最佳工艺设计。量身定制的全局优化算法用于有效解决大规模非凸MINLP问题。最终的最佳过程设计将通过全过程仿真得到进一步验证。拟议的框架适用于页岩气综合处理和化工生产过程的综合上部结构，其中涉及乙烷，丙烷，正丁烷和异丁烷的蒸汽裂化。©2017美国化学工程师学会AIChE的Ĵ，2017年