Simulation-aided effective design of a catalytic reactor for ethane oxidative dehydrogenation over NiNbO

Skoufa, Zinovia; Giannakakis, Georgios; Heracleous, Eleni; Lemonidou, Angeliki A.

doi:10.1016/j.cattod.2017.03.004

Cited by 9 publications

(9 citation statements)

References 32 publications

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“…-The flow regime is considered as plug flow since the ratio of the reactor length to the tube diameter is very high [45]. -Mass diffusion is neglected due to the high flow rate and the small tube diameter [37].…”

Section: Mathematical Modelingmentioning

confidence: 99%

Sensitivity Analysis and Multi‐Objective Optimization of Oxidative Dehydrogenation of Propane in a Fixed‐bed Reactor over Vanadium/Graphene for Propylene Production

et al. 2021

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Oxidative dehydrogenation of light alkanes is an attractive route for the production of olefins. This method does not need much energy, while common processes such as propane dehydrogenation and cracking require external energy resources and cause rapid catalyst deactivation. In this research, an isothermal one-dimensional model of a fixed-bed reactor was considered for oxidative dehydrogenation of propane over a V 2 O 5 /graphene catalyst. Operational parameter sensitivity analysis showed that high temperature (450-500 °C), high pressure (7-8 atm), a moderate molar propane to air feed ratio (about 0.7), and a low feed flow rate enhanced the propane conversion and propylene productivity. However, for the production of propylene as desirable product, low temperature, low pressure, a high molar ratio, and a high feed flow rate are preferred. Thus, to determine the exact interval of operational parameter values, a multi-objective optimization was performed for the yields of propylene and CO x , revealing a maximum propylene yield of ~40 %. For safety reasons, a feed molar ratio of propane to air of > 0.6 was preferred, which is not in the flammable region.

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Section: Mathematical Modelingmentioning

confidence: 99%

Sensitivity Analysis and Multi‐Objective Optimization of Oxidative Dehydrogenation of Propane in a Fixed‐bed Reactor over Vanadium/Graphene for Propylene Production

et al. 2021

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“…22 Most of the pseudo-continuous models proposed 9,17,26,18−25 to assess the performance of the ODH-C 2 in a wall-cooled packed-bed reactor either make a number of simplifications that are debatable, such as include kinetic parameters that lack statistical significance and physical meaning, 17,19,20,22−24 or neglect the impact of essential transport mechanisms on the reactor performance and, hence, on ethane conversion and ethylene selectivity. 17−26 Several authors have used pseudohomogeneous 1D models with averaged characteristics, 17,[19][20][21][22]24,26 ignoring the local impact of the radial heat and mass transfer on the macroscopic performance of the reactor. More complex approximations and pseudo-heterogeneous 2D models (describing both the gas and solid phase and making use of effective coefficients) have also been used to simulate the performance of the considered reactor configuration.…”

Section: Introductionmentioning

confidence: 99%

Toward the Industrial Exploitation of the Oxidative Dehydrogenation of Ethane over a NiO-SnO₂-Based Catalyst: Regime, Parametric Sensitivity, and Optimization Analysis

Alvarado-Camacho

Poissonnier

Thybaut

et al. 2023

Ind. Eng. Chem. Res.

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An industrial-scale catalytic reactor for ethylene production via the oxidative dehydrogenation of ethane (ODH-C2) over a highly active and selective SnO2-NiO-based catalyst is investigated using a pseudo-heterogeneous reactor model (describing both the gas and solid phase and making use of effective kinetic and transport coefficients). More particularly, the dominant phenomena at the micro- and macroscale in a packed-bed reactor configuration with a low tube-to-particle diameter ratio (d t/d p) are assessed. First, the relevance of kinetics and transport phenomena on the reactor performance is determined. The evaluation of the corresponding characteristic times demonstrated that axial mass dispersion and axial heat transfer conduction exert a negligible impact on the concentration and temperature profiles obtained in the reactor. Fluid dynamics as well as radial conductive heat transfer mechanisms, on the other hand, must be accounted for in order to have an accurate simulation of the profiles around the hot spot position. A sensitivity analysis allowed assessing the impact of the operating conditions on the performance of the industrial-scale reactor. Temperature and concentration, mainly around the hot spot, are highly sensitive to the inlet particle Reynolds number (Rep), the coolant temperature, and the inlet concentration of ethane and oxygen. Finally, a multi-parametric sensitivity analysis was used to identify the safety operating window leading to the optimal macroscopic performance of the reactor: a coolant temperature between 410 and 440 °C, an inlet concentration of ethane from 2 to 4 mol %, an inlet concentration of oxygen from 10 to 14 mol %, and a Rep from 620 to 1000. Thus, the engineering analysis led to the development of the most simplified yet comprehensive pseudo-heterogeneous model with reduced computational costs, which can be used with confidence in future studies for the industrial implementation of the ODH-C2 catalytic reaction concept.

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“…Although ODH-C 2 has already been investigated since the 1970s, 13 at present there is still no industrial technology for this reaction concept worldwide. Several ODH-C 2 reactor concepts have been proposed in the literature: wall-cooled packed bed reactors with low d t / d p ratios, 14–22 packed bed membrane reactors 23,24 and chemical looping reactors (CL-ODH). 25,26 The conventional ODH-C 2 packed-bed reactor operates with an axial downward flow of fluid and consists of a cylindrical tube packed with particles of a selective catalyst to a specific reaction route.…”

Section: Introductionmentioning

confidence: 99%

Unravelling the redox mechanism and kinetics of a highly active and selective Ni-based material for the oxidative dehydrogenation of ethane

et al. 2022

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Simulation-aided effective design of a catalytic reactor for ethane oxidative dehydrogenation over NiNbO

Cited by 9 publications

References 32 publications

Sensitivity Analysis and Multi‐Objective Optimization of Oxidative Dehydrogenation of Propane in a Fixed‐bed Reactor over Vanadium/Graphene for Propylene Production

Sensitivity Analysis and Multi‐Objective Optimization of Oxidative Dehydrogenation of Propane in a Fixed‐bed Reactor over Vanadium/Graphene for Propylene Production

Toward the Industrial Exploitation of the Oxidative Dehydrogenation of Ethane over a NiO-SnO₂-Based Catalyst: Regime, Parametric Sensitivity, and Optimization Analysis

Unravelling the redox mechanism and kinetics of a highly active and selective Ni-based material for the oxidative dehydrogenation of ethane

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Simulation-aided effective design of a catalytic reactor for ethane oxidative dehydrogenation over NiNbO

Cited by 9 publications

References 32 publications

Sensitivity Analysis and Multi‐Objective Optimization of Oxidative Dehydrogenation of Propane in a Fixed‐bed Reactor over Vanadium/Graphene for Propylene Production

Sensitivity Analysis and Multi‐Objective Optimization of Oxidative Dehydrogenation of Propane in a Fixed‐bed Reactor over Vanadium/Graphene for Propylene Production

Toward the Industrial Exploitation of the Oxidative Dehydrogenation of Ethane over a NiO-SnO2-Based Catalyst: Regime, Parametric Sensitivity, and Optimization Analysis

Unravelling the redox mechanism and kinetics of a highly active and selective Ni-based material for the oxidative dehydrogenation of ethane

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Toward the Industrial Exploitation of the Oxidative Dehydrogenation of Ethane over a NiO-SnO₂-Based Catalyst: Regime, Parametric Sensitivity, and Optimization Analysis