SPICE_MARS: A Process Synthesis Framework for Membrane-Assisted Reactive Separations
SPICE_MARS: A Process Synthesis Framework for Membrane-Assisted Reactive Separations
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DOI：
10.1021/acs.iecr.1c00021
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发表时间：
2021-05
影响因子：
4.2
通讯作者：
Mohammed Sadaf Monjur;S. Demirel;Jianping Li;M. M. Hasan-M.
中科院分区：
文献类型：
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作者：
Mohammed Sadaf Monjur;S. Demirel;Jianping Li;M. M. Hasan-M.
膜反应器（MR）将反应和分离现象结合在一个单元中，与传统设计相比，它提供了一种节能、经济、紧凑、模块化和可持续的设计。一个系统的设计框架可以产生MR的这些好处，并增加其在化学过程工业中的采用。为此，我们提出了SPICE_MARS（涉及膜辅助反应分离的化工企业的合成和过程强化），一个软件原型的概念设计，模拟，合成和优化MR的不同工艺应用。在概念层面，我们可以确定MR是否是所需的，并选择转换/分离哪些物种。在设备水平上，我们得到最佳的MR配置考虑不同的流量安排，强化策略，膜类型，吹扫气体，反应器长度，膜面积，和催化剂量。此外，我们可以生成不同设计目标的最佳反应堆配置的排序列表。这些使能能力证明使用两个案例研究，涉及甲醇合成和甲烷部分氧化。在这两种情况下，新的MR设计，实现大幅改善目前的工业实践相比，被发现。
A membrane reactor (MR) combines reaction and separation phenomena in a single unit and offers an energy-efficient, cost-effective, compact, modular, and sustainable design compared to conventional designs. A systematic design framework can yield such benefits of MRs and increase their adoption in the chemical process industry. To this end, we present SPICE_MARS (synthesis and process intensification of chemical enterprises involving membrane-assisted reactive separations), a software prototype for conceptual design, simulation, synthesis, and optimization of MRs for different process applications. At the conceptual level, we can determine whether MR is desired or not and select which species to convert/separate. At the equipment level, we obtain optimal MR configurations considering different flow arrangements, intensification strategies, membrane types, sweep gases, reactor lengths, membrane areas, and catalyst amounts. Additionally, we can generate rank-ordered lists of optimal reactor configurations for different design objectives. These enabling capabilities are demonstrated using two case studies involving methanol synthesis and methane partial oxidation. In both cases, novel MR designs—achieving drastic improvement compared to current industrial practice—are found.