Multi-scale modeling and simulation of a novel membrane reactor (MR)/adsorptive reactor (AR) process

Karagöz, Seçgin; Tsotsis, Theodore T.; Manousiouthakis, Vasilios I.

doi:10.1016/j.cep.2019.01.012

Title: Multi-scale modeling and simulation of a novel membrane reactor (MR)/adsorptive reactor (AR) process

Journal Article · 02 February 2019 · Chemical Engineering and Processing

DOI: https://doi.org/10.1016/j.cep.2019.01.012 · OSTI ID:2329326

Karagöz, Seçgin ^[1]; Tsotsis, Theodore T. ^[2]; Manousiouthakis, Vasilios I. ^[2]

Univ. of Southern California, Los Angeles, CA (United States); University of Southern California
Univ. of Southern California, Los Angeles, CA (United States)

The objective of this study is the modeling and simulation of a novel process, consisting of a membrane reactor (MR)/adsorptive reactor (AR) sequence that intensifies equilibrium-limited reactions and associated separation processes. A comprehensive, multi-scale, multiphase, steady-state/dynamic, computational fluid dynamics (CFD)-based process model is developed, that quantifies the many underlying complex physicochemical phenomena occurring at the pellet, and reactor scales. Model simulations are then carried-out, to study the influence of the individual units’ operating and design parameters on overall system performance, and to better understand this simultaneous reaction/separation, steady-state/cyclic process. Finally, simulation-based optimization studies are then carried out to identify acceptable ranges for both operating and design parameters, so as to meet pre-defined process performance specifications.

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Research Organization:: Univ. of Southern California, Los Angeles, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: FE0031737; FE0026423

OSTI ID:: 2329326

Journal Information:: Chemical Engineering and Processing, Journal Name: Chemical Engineering and Processing Vol. 137; ISSN 0255-2701

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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