GRAMS: A general framework describing adsorption, reaction and sorption-enhanced reaction processes. (31st December 2018)

• Record Type: Journal Article
• Authors: Arora, Akhil; Iyer, Shachit S.; Hasan, M.M. Faruque
• Is Part Of: Chemical engineering science. Volume 192(2018)
• Page Start: 335
• Page End: 358
• Publication Date: 2018-12-31
• Subjects: Dynamic simulation -- Process modeling -- PSA -- SERP -- Fixed bed reactor; Chemical engineering -- Periodicals; Génie chimique -- Périodiques; Chemical engineering; Periodicals; Electronic journals; 660
• DOI: 10.1016/j.ces.2018.07.031
• Languages: English
• ISSNs: 0009-2509

Abstract

Graphical abstract: Highlights: Unified modeling and simulation framework for adsorbers, reactors and sorption enhanced reaction processes. Generalized 1-D, pseudo-homogeneous non-linear and algebraic partial differential equation (NAPDE) model. Several validated studies on SMR, sorption enhanced SMR, sorption enhanced WGSR and PSA. Studied effects of adsorbent and catalyst distribution on SERP process performance. Abstract: We present a generalized reaction-adsorption modeling and simulation (GRAMS) framework that captures both reaction and adsorption dynamics in columns with solid catalysts, porous adsorbents or both. It is based on a 1-dimensional, pseudo-homogeneous, non-isothermal, non-adiabatic and non-isobaric model that is extensively validated using experimental data from literature for different adsorption-reaction systems. For demonstrating the capabilities of the high-fidelity framework, simulations are performed for several configurations of a packed-column system containing (i) pure catalyst as in a fixed bed reactor, (ii) pure adsorbent as in a multi-step pressure swing adsorption (PSA) process, (iii) homogeneously-distributed uniform mixture of adsorbent and catalyst as in a cyclic sorption enhanced reaction process (SERP), and (iv) heterogeneously-compartmentalized adsorbent and catalyst as in a layered SERP. The model predictions show good agreement with experimental observations for sorption-enhanced steam methane reforming (SE-SMR), sorption-enhanced water gas shift reaction (SE-WGSR), PSA processes and conventional SMR. The framework is also used for evaluating the performance of a novel process with integrated SE-SMR and reverse water gas shift reaction (RWGSR) for direct natural-gas-to-syngas conversion. GRAMS is implemented such that it can be used for optimal design and intensification of novel, modular and multi-functional processes by combining multiple phenomena within a single unit.