Accurate and reliable mathematical models play a key role in membrane system design. Process simulators have been proven to be successful in modeling, simulate, and optimize various industrial processes. Most of the commercial simulators can be used to solve mathematical models based on membrane applications. The present review is discussing the various process simulators such as Aspen PlusⓇ, CHEMCAD^Ⓡ, gPROMS^Ⓡ, Hysys^Ⓡ, PRO/II^Ⓡ, ROSA^Ⓡ, SuperPro Designer^Ⓡ with relevance to the membrane-based processes and system design. The benefits of these tools, customization using ACM^Ⓡ, MATLAB^Ⓡ for rigorous modeling, simulation, and optimization, were discussed. Interfacing among simulators using CAPE-OPEN was briefed. State-of-the-art simulation for pervaporation, membrane distillation, membrane filtration, membrane reactors, and membrane-based gas separations with a special focus on CO₂ capture was reviewed. The review is also discussed open-source and commercially developed applications, along with challenges and prospects. Finally, the review covered various mathematical tools usage in membrane system design.

准确可靠的数学模型在膜系统设计中起着关键作用。过程仿真器已被证明在建模，模拟和优化各种工业过程方面是成功的。大多数商用模拟器可用于基于膜应用求解数学模型。本审查讨论各种过程仿真器，如阿斯PlusⓇ，CHEMCAD ^Ⓡ，的gPROMS ^Ⓡ，HYSYS ^Ⓡ，PRO / II ^Ⓡ，ROSA ^Ⓡ，超强锁设计^Ⓡ与关联于基于膜的工艺和系统的设计。这些工具的好处，使用^ACMⓇ，MATLAB ^{customization进行定制}进行了严格建模，仿真和优化的讨论。简要介绍了使用CAPE-OPEN进行模拟器之间的接口。综述了渗透蒸发，膜蒸馏，膜过滤，膜反应器和基于膜的气体分离的最新模拟，其中特别着重于CO ₂捕集。审查还讨论了开源和商业开发的应用程序，以及挑战和前景。最后，该综述涵盖了膜系统设计中各种数学工具的用法。