Impact of kinetic models in the prediction accuracy of an industrial steam methane reforming unit

Quirino, Poliana P.S.; Amaral, André Furtado; Pontes, Karen Valverde; Rossi, Francesco; Manenti, Flavio

doi:10.1016/j.compchemeng.2021.107379

Cited by 8 publications

(8 citation statements)

References 45 publications

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“…Two water gas shift reactors, high‐temperature shift (HTS) and low‐temperature shift (LTS), operating at different temperatures, have been considered. The catalytic reactions in the steam reforming process play a key role in the composition profiles and thus the efficiency of the process 37 . The HTS and LTS reactors operate at 623 and 466 K, respectively 38 .…”

Section: Process Description and Proposed Superstructurementioning

confidence: 99%

Targeting climate‐neutral hydrogen production: Integrating brown and blue pathways with green hydrogen infrastructure via a novel superstructure and simulation‐based life cycle optimization

Lal

You

2022

AIChE Journal

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This article addresses the sustainable design of hydrogen (H2) production systems that integrate brown and blue pathways with green hydrogen infrastructure. We develop a systematic framework to simultaneously optimize the process superstructure and operating conditions of steam methane reforming (SMR)‐based hydrogen production systems. A comprehensive superstructure that integrates SMR with multiple carbon dioxide capture technologies, electrolyzers, fuel cells, and working fluids in the organic rankine cycle is proposed under varying operating conditions. A life cycle optimization model is then developed by integrating superstructure optimization, life cycle assessment approach, techno‐economic assessment, and process optimization using extensive process simulation models and formulated as a mixed‐integer nonlinear program. We find that the optimal unit‐levelized cost of hydrogen ranges from $1.49 to $3.18 per kg H2. Moreover, the most environmentally friendly process attains net‐zero life cycle greenhouse gas emissions compared to 10.55 kg CO2‐eq per kg H2 for the most economically competitive process design.

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Section: Process Description and Proposed Superstructurementioning

confidence: 99%

Targeting climate‐neutral hydrogen production: Integrating brown and blue pathways with green hydrogen infrastructure via a novel superstructure and simulation‐based life cycle optimization

Lal

You

2022

AIChE Journal

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“…32 Different assumptions can be made according to the relationship between hydrogen and steam concentrations, the control steps, and the adsorption of species on the catalyst sites. 33…”

Section: Kinetic Analysismentioning

confidence: 99%

“…Rxn solution-diffusion mechanism (Figure 2), including the different steps: (1) external diffusion of hydrogen molecule to the Pd surface, (2) dissociative adsorption of hydrogen molecule on the Pd surface to hydrogen atoms, (3) dissolution of hydrogen atom into the metal bulk, (4) diffusion of hydrogen atom through the metal bulk, ( 5) association of hydrogen atom on the Pd surface, ( 6) desorption of hydrogen molecule from Pd surface, and ( 7) external diffusion of a hydrogen molecule from Pd surface. 58 In most of the studies on MR modeling, the hydrogen flux through the membrane has been simply calculated using Sieverts' Law, which states that hydrogen flux is proportional to the difference of the square root of the partial pressure of hydrogen in the reaction side to that of hydrogen in the permeation side (Equation [33]).…”

Section: Refmentioning

confidence: 99%

“…J SD H 2 represents the term indicating the contribution of solution/diffusion mechanism, expressed by Equation (33), whereas the Knudsen and viscous flow represent the other two contributions expressed by Equations ( 36) and (37).…”

Section: Refmentioning

confidence: 99%

“…In order to better understand the reaction kinetics, the development of a kinetic model based on the experimental data for methane conversion is necessary 32 . Different assumptions can be made according to the relationship between hydrogen and steam concentrations, the control steps, and the adsorption of species on the catalyst sites 33 …”

Section: Kinetics Of Steam‐methane Reforming Reactionsmentioning

confidence: 99%

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A review on mathematical modeling of packed bed membrane reactors for hydrogen production from methane

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Çolpan

Iulianelli

2021

Intl J of Energy Research

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The most widely used process for hydrogen production is steam methane reforming. It can be carried out using a membrane reactor in which simultaneous hydrogen production and purification occur. Mathematical modeling of these reactors plays a key role in the selection of the design and operating parameters that yield high performance for the reactor. This review study discusses, synthesizes, and compares different mathematical modeling studies on the packed bed membrane reactors for hydrogen production from methane found in the literature. Different approaches used in these modeling studies for the hydrogen permeation steps, reaction kinetic expressions, phases involved (pseudo-homogeneous and heterogeneous), and spatial dimensions (one, two, and three dimensional) are given.

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Process modeling and apparatus simulation for syngas production

Bisotti¹,

Fedeli²,

Quirino³

et al. 2023

Advances in Synthesis Gas : Methods, Technologies and Applications

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Impact of kinetic models in the prediction accuracy of an industrial steam methane reforming unit

Cited by 8 publications

References 45 publications

Targeting climate‐neutral hydrogen production: Integrating brown and blue pathways with green hydrogen infrastructure via a novel superstructure and simulation‐based life cycle optimization

Targeting climate‐neutral hydrogen production: Integrating brown and blue pathways with green hydrogen infrastructure via a novel superstructure and simulation‐based life cycle optimization

A review on mathematical modeling of packed bed membrane reactors for hydrogen production from methane

Process modeling and apparatus simulation for syngas production

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