Modelling and simulation of a mixed-flow reactor for ammonia and methanol synthesis

Yoo, Chue-San; Dixon, Anthony G.

doi:10.1016/0009-2509(88)80028-9

Cited by 12 publications

(2 citation statements)

References 12 publications

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“…This is primarily due to harsh operating conditions, measurement complexities, and limited data availability. Yoo et al 11 conducted a comparative analysis between one-dimensional fluidized bed reactor models and one-dimensional fixed bed reactor models for ammonia synthesis. Penkuhn et al 12 explored different configurations of the ammonia production process using exergy technology, determining that the indirect cooling configuration exhibited lower energy requirements and higher ammonia purity.…”

Section: Introductionmentioning

confidence: 99%

How to Achieve Flexible Green Ammonia Production: Insights via Three-Dimensional Computational Fluid Dynamics Simulation

Zhang,

Li,

Zhou

et al. 2024

Ind. Eng. Chem. Res.

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The green ammonia synthesis process involves producing ammonia using hydrogen obtained from electrolyzing water with renewable energy sources, thereby contributing to carbon emission reduction and promoting sustainable development. However, in large-scale commercial operations, there exists a contradiction between the volatility of renewable energy and the stability required in chemical production processes: the fluctuation of the power supply and feedstocks constantly brings new changes to the heat and mass transfer of the fluid in the reactor, which will pose a severe challenge to the flexibility of reactor operation. In this study, we utilized a combination of reaction kinetics and computational fluid dynamics (CFD) to conduct three-dimensional modeling of the green ammonia reactor with validation against industrial data. The proposed novel approach facilitated the prediction of spatial flow field distribution within the reactor and assessment of varying load impacts on green ammonia yield and production index. The results indicate minimal deviation in processing parameters from baseline operating conditions under varying loads, yet a notable reduction in green ammonia yield occurs with decreased production loads, nearly reducing by 50%. Through the sensitivity analysis, the optimal operation scheme under different production loads is proposed. For example, at 30% load, the optimal operating pressure and hydrogen/nitrogen ratio are 14 MPa and 3.1, which are quite different from the baseline operating conditions. However, such process flexibility comes at the expense of catalyst and energy utilization, decreasing exergy efficiency by approximately 30% and potentially leading to operational anomalies such as gas dead spaces, low-temperature zones, and backflow, underscoring the trade-offs inherent in enhancing process flexibility. Nonetheless, the application potential of the green ammonia flexible synthesis process remains promising. Our proposed three-dimensional reactor simulation offers theoretical underpinnings for ensuring stability and optimal operation regulation in green ammonia production.

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Section: Introductionmentioning

confidence: 99%

How to Achieve Flexible Green Ammonia Production: Insights via Three-Dimensional Computational Fluid Dynamics Simulation

Zhang,

Li,

Zhou

et al. 2024

Ind. Eng. Chem. Res.

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“…Yoo and Dixon [24] simulated a mixed-flow adiabatic fixedbed reactor. The viscous term in their model has been substituted by Darcy's law for creeping flow.…”

Section: Introductionmentioning

confidence: 99%

Steady‐State Modeling and Simulation of an Axial‐Radial Ammonia Synthesis Reactor

Panahandeh¹,

Fathikaljahi

Mohebbi

2003

Chem Eng & Technol

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A two-dimensional model was developed for an axial-radial ammonia synthesis reactor of the Shiraz petrochemical plant. In this model, momentum and continuity equations as well as mass and energy balance equations are solved simultaneously by orthogonal collocation on the finite element method to obtain pressure, velocity, concentration and temperature profiles in both axial and radial directions. For the catalyst particle, the effectiveness factor is calculated by solving a two-point boundary value differential equation. The boundary conditions for the Navier-Stokes and continuity equations are obtained by using equations representing the phenomena of gases splitting or joining in different streams and going through holes in a thin wall. The results of the mathematical model have been compared with the plant data and a good agreement is obtained.

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Investigations on hydrodynamics of multilayer Π‐type radial flow reactors

Zhu

2011

Asia-Pacific J Chem Eng

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Consisting of two or three different layers of catalyst or adsorbent, the multilayer radial flow reactor is a novel radial reactor with compact structure and high performance. In this article, pressure profiles in the flow channels and layers of a three‐layer radial flow reactor were measured and the properties of the fluids in the flow channels and layers were investigated. Results show that the uniformity of the pressure profiles in the distributing and collecting channels in the axial direction has a significant effect on the flow distribution of each layer. The uniformity of the flow distribution in multilayer Π‐type radial flow reactors varies in the radial direction. It is better in the outer layer than in the inner layer when the pressure variation in the center channel is more significant than that in the annular channel. The main contributions of this work are helpful to the proper design and optimum operation of the multilayer radial reactor. Copyright © 2011 Curtin University of Technology and John Wiley & Sons, Ltd.

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Modelling and simulation of a mixed-flow reactor for ammonia and methanol synthesis

Cited by 12 publications

References 12 publications

How to Achieve Flexible Green Ammonia Production: Insights via Three-Dimensional Computational Fluid Dynamics Simulation

How to Achieve Flexible Green Ammonia Production: Insights via Three-Dimensional Computational Fluid Dynamics Simulation

Steady‐State Modeling and Simulation of an Axial‐Radial Ammonia Synthesis Reactor

Investigations on hydrodynamics of multilayer Π‐type radial flow reactors

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