Simulations of methane partial oxidation by CFD coupled with detailed chemistry at industrial operating conditions

Zhang, Qi; Liu, Yefei; Chen, Tianwen; Yu, Xinyu; Wang, Jinfu; Wang, Tiefeng

doi:10.1016/j.ces.2015.11.010

Cited by 37 publications

(28 citation statements)

References 26 publications

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“…A promising reaction route that has received much attention recently is the catalytic partial oxidation of methane in short contact time reactors in high temperature environment [10][11][12], where a high yield of synthesis gas (higher than 90%) can be achieved [13]. In comparison with other synthesis gas production routes, this technology shows great promise because higher selectivity and better efficiency can be achieved [14].…”

Section: Introductionmentioning

confidence: 99%

RETRACTED: Computational Fluid Dynamics Modeling of the Catalytic Partial Oxidation of Methane in Microchannel Reactors for Synthesis Gas Production

Chen

Song

2018

Processes

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This paper addresses the issues related to the favorable operating conditions for the small-scale production of synthesis gas from the catalytic partial oxidation of methane over rhodium. Numerical simulations were performed by means of computational fluid dynamics to explore the key factors influencing the yield of synthesis gas. The effect of mixture composition, pressure, preheating temperature, and reactor dimension was evaluated to identify conditions that favor a high yield of synthesis gas. The relative importance of heterogeneous and homogenous reaction pathways in determining the distribution of reaction products was investigated. The results indicated that there is competition between the partial and total oxidation reactions occurring in the system, which is responsible for the distribution of reaction products. The contribution of heterogeneous and homogeneous reaction pathways depends upon process conditions. The temperature and pressure play an important role in determining the fuel conversion and the synthesis gas yield. Undesired homogeneous reactions are favored in large reactors, and at high temperatures and pressures, whereas desired heterogeneous reactions are favored in small reactors, and at low temperatures and pressures. At atmospheric pressure, the selectivity to synthesis gas is higher than 98% at preheating temperatures above 900 K when oxygen is used as the oxidant. At pressures below 1.0 MPa, alteration of the dimension in the range of 0.3 and 1.5 mm does not result in significant difference in reactor performance, if made at constant inlet flow velocities. Air shows great promise as the oxidant, especially at industrially relevant pressure 3.0 MPa, thereby effectively inhibiting the initiation of undesired homogeneous reactions.

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Section: Introductionmentioning

confidence: 99%

RETRACTED: Computational Fluid Dynamics Modeling of the Catalytic Partial Oxidation of Methane in Microchannel Reactors for Synthesis Gas Production

Chen

Song

2018

Processes

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“…A number of interesting new processes are being developed at the pilot plant level [20,21]. Recently, the process of partial oxidation of methane into acetylene, which has long become an industrial process, has again attracted much attention [22,23]. Computer modeling of the process shows the possibility of achieving almost 40% selectivity of acetylene formation at the conversion of hydrocarbons above 80% [22].…”

Section: Direct Gtl Technologies Without Preliminary Conversion Of Hy...mentioning

confidence: 99%

Non-Catalytic Gas Phase Oxidation of Hydrocarbons

Arutyunov

Савченко

Седов

et al. 2022

Eurasian Chem. Tech. J.

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The predicted role of gas chemistry in meeting the global needs for fuels and petrochemicals makes it necessary to increase the efficiency of gas chemical processes and reduce their energy consumption. An important role in solving these problems can be played by non-catalytic autothermal oxidation processes that provide high energy efficiency with minimal demands on the composition of processed gases and their preliminary preparation. The paper presents the latest results of the development of two promising directions in natural gas processing. One, so called matrix conversion, belongs to the group of processes based on their preliminary conversion into syngas and demonstrates the possibility of a significant increase in specific capacity due to the transition to autothermal oxidative conversion. The other is based on the processes of direct conversion of hydrocarbon gases into chemical products – their partial oxidation and oxycracking with subsequent catalytic carbonylation of the resulting methanol and ethylene. In this case, additional advantages are achieved due to the possibility of direct processing of complex gas mixtures without their preliminary separation.

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“…COMSOL interface is used to solve Naiver-Stokes equations describing the flow field behavior. Reaction kinetics include 13 absorbed species which is defined and solved by 13-dimensional stiffness equation and is constrained by Equation 24. Data of temperature and concentration for each species is given by user defined functions (UDFs) provided by surface reaction interface in COMSOL to the solver of stiff equations.…”

Section: Solution Schemementioning

confidence: 99%

“…Researchers have focused on exploring catalytic autothermal reforming through simulations and experiments . Conventional catalysts used in the reforming process are transition active metals, such as nickel, palladium, cobalt, platinum, ruthenium, and rhodium . Catalyst selection depends on reforming technology, hydrogen production, and probability of avoiding coke formulation.…”

Section: Introductionmentioning

confidence: 99%

“…[11][12][13][14][15][16] Conventional catalysts used in the reforming process are transition active metals, such as nickel, 17,18 palladium, 19 cobalt, 20 platinum, 19,21,22 ruthenium, 19,20 and rhodium. 19,20,23,24 Catalyst selection depends on reforming technology, hydrogen production, and probability of avoiding coke formulation. Coke deposition on catalyst affects reactor performance.…”

Section: Introductionmentioning

confidence: 99%

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Autothermal reforming of n-hexadecane over Rh catalyst to produce syngas in microchannel reactor using finite element method

Malik

Kim

2018

Int J Energy Res

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Summary Numerical study on the autothermal reforming of n‐hexadecane, which can be used in proton exchange membrane fuel cell for automotive applications, in microchannels is necessary. A 2D computational fluid dynamics (CFD) model, with combustion and reforming channels thermally coupled and separated by a metal medium wall, is developed and studied in terms of hydrogen production and catalyst activity. Rh supported on CeO2 is used as a catalyst and applied to the inner surface of the channels, where the catalytic endothermic and exothermic reactions occur. CFD analysis shows considerable results in terms of reactor performance. Along the reactor channel length, the mole percentage of hydrogen is 86% after over 2 hours of catalyst activity. The corresponding fuel conversion in respective channels is 85% on the catalytic surface of the reactor. The predicted hydrogen production from the CFD model is 59% higher than that as equilibrium conditions. Heat conduction through the medium solid wall depends on the thermal conductivity of a material. In this model, a metal solid wall with thermal conductivity of 40 W/m K, which transfers heat from the combustion channel within milliseconds, is used. The calculated model operating temperature in the reforming channel ranges from 660 to 850 K.

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Simulations of methane partial oxidation by CFD coupled with detailed chemistry at industrial operating conditions

Cited by 37 publications

References 26 publications

RETRACTED: Computational Fluid Dynamics Modeling of the Catalytic Partial Oxidation of Methane in Microchannel Reactors for Synthesis Gas Production

RETRACTED: Computational Fluid Dynamics Modeling of the Catalytic Partial Oxidation of Methane in Microchannel Reactors for Synthesis Gas Production

Non-Catalytic Gas Phase Oxidation of Hydrocarbons

Autothermal reforming of n-hexadecane over Rh catalyst to produce syngas in microchannel reactor using finite element method

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