2018
DOI: 10.1021/acs.iecr.8b04242
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Model-Based Catalyst Selection for the Oxidative Coupling of Methane in an Adiabatic Fixed-Bed Reactor

Abstract: Adiabatic operation of catalytic fixed-bed reactors for Oxidative Coupling of Methane (OCM) has been simulated using a detailed microkinetic and reactor model. For several catalysts (1%wtSr/La2O3, 10%wtLa-20%wtSr/CaO, 4%wtSn-2%wtLi/MgO and 12%wtMn-20%wtNa2WO4/SiO2), diverse in activity and selectivity towards C2+ products, operating conditions have been determined that maximize C2+ yield at low inlet temperature T0 (<< 923 K). A prior analysis of light-off curves served as a guideline for optimal operating tem… Show more

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Cited by 29 publications
(36 citation statements)
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“…A microkinetic model for the OCM reaction, previously developed by our group 38 , is embedded in a fixed-bed reactor model which allows the simulation of both isothermal and adiabatic operation 28 . this Both the kinetic and the reactor model were extensively described in the referenced literature and an overview is provided in section S1 of the S.I..…”
Section: Microkinetic Simulationsmentioning
confidence: 99%
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“…A microkinetic model for the OCM reaction, previously developed by our group 38 , is embedded in a fixed-bed reactor model which allows the simulation of both isothermal and adiabatic operation 28 . this Both the kinetic and the reactor model were extensively described in the referenced literature and an overview is provided in section S1 of the S.I..…”
Section: Microkinetic Simulationsmentioning
confidence: 99%
“…33% of the data points fall in the range: CH4/O2= 2-5, T= 1023-1073 K. The latter can, hence, be considered as the 'typical' operating range in isothermal OCM literature. The selection of the operating conditions for the adiabatic scenarios has been discussed in detail in our previous work 28 . The maximum temperature in the reactor was set to 1273 K based on metallurgical constraints for stainless steel 54 .…”
Section: Catalysts and Operating Conditionsmentioning
confidence: 99%
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“…Numerical experiments The numerical set-up used for simulating performances of the virtual catalysts consists of the earlier mentioned kinetic model embedded in a 1dimensional, heterogeneous reactor model, i.e. not including radial gradients on the reactor scale, but including transport limitations on the particle scale 75 . For each of the three case studies, a single set of process conditions was considered, that corresponds to the selected experimental dataset.…”
Section: Application To the Oxidative Coupling Of Methanementioning
confidence: 99%