Simulation and optimization of a methanol synthesis process from different biogas sources

Santos, Rafael Oliveira dos; Santos, Lizandro de Sousa; Prata, Diego Martinez

doi:10.1016/j.jclepro.2018.03.108

Cited by 104 publications

(26 citation statements)

References 37 publications

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“…Some of the most commonly used kinetic models for methanol synthesis are the models provided by Graaf 13,[34][35][36][37] and Vanden Bussche and Froment. 15,[38][39][40][41] Graaf's kinetic model is based on the stepwise hydration of CO and CO 2 with the rate determining step (rds) determined by an error discussion of the 48 possible combinations of rds of COhydrogenation, CO 2 -hydrogenation and reverse WGS (rWGS). 13,42,43 In contrast to the mechanism applied by Graaf, Bussche and Froment considered a different reaction mechanism based only on CO 2 -hydrogenation coupled with rWGS via the formyl species.…”

Section: Reaction Chemistry and Engineering Papermentioning

confidence: 99%

A novel approach for kinetic measurements in exothermic fixed bed reactors: advancements in non-isothermal bed conditions demonstrated for methanol synthesis

et al. 2021

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Section: Reaction Chemistry and Engineering Papermentioning

confidence: 99%

A novel approach for kinetic measurements in exothermic fixed bed reactors: advancements in non-isothermal bed conditions demonstrated for methanol synthesis

et al. 2021

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“…Santos et al screened various potential biogas sources (i.e. landfill, palm oil effluent, corn cobs and sorghum fermentation) and found that the palm oil effluent was presented the highest methanol yield (Santos et al, 2018). From a more theoretical point of view, Moradi et al showed that sufficient optimization of packed bed reactors for CO 2 hydrogenation could be made with the aid of CFD (Moradi et al, 2014).…”

Section: Introductionmentioning

confidence: 99%

Multiscale modelling of CO2 reduction to methanol over industrial Cu/ZnO/Al2O3 heterogeneous catalyst: Linking ab initio surface reaction kinetics with reactor fluid dynamics

Pavlišič

Huš

Prašnikar

et al. 2020

Journal of Cleaner Production

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There has been a growing trend to couple different levels of modelling, such as going from first-principle calculations to the meso (e.g. kinetic Monte Carlo-KMC) and macro scale (e.g. computational fluid dynamics-CFD). In the current investigation, we put forward a CFD study of CO 2 hydrogenation to methanol for heterogeneous reacting flows in reactors with complex shape geometries, coupled with first-principle calculations (density functional theory (DFT)). KMC operation simulations were also performed to obtain insight into the uppermost layer conditions during the reaction. With computational fluid dynamics, the focus was placed on the non-uniform catalytic reduction of carbon dioxide to formate, which we treated with a detailed mean-field first-principle microkinetic model, analysed, and corroborated with experiments. The results showed a good consistent agreement with experimental data. The formulated methodological approach paves the way towards full virtual multiscale system descriptions of industrial processing units, encompassing all conventional stages, from catalyst design to the optimisation of mass transfer parameters. Such a bridging is outlined for carbon capture and utilisation.

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“…The use of biogas in the methanol synthesis recently raised the interest of many researches. Santos et al (Santos et al, 2018) studied the methanol synthesis from landfill gas, palm oil effluent, corncobs and sorghum fermentation. Borgogna et al (Borgogna et al, 2019), reported a process producing methanol via syngas originated from solid waste gasification.…”

Section: Introductionmentioning

confidence: 99%

A techno-economic-environmental analysis of the methanol production from biogas and power-to-X

Moioli

Schildhauer

2021

Preprint

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Methanol is a key ingredient for the chemical industry and for the energy sector. Towards a transition into carbon-neutral future, it would be of great interest to reduce the fossil carbon footprint of the methanol synthesis by investigating alternative routes. A potential way to produce methanol in a sustainable manner is to utilize biogas, which is a carbon-neutral feedstock. However, it is challenging to provide sufficient biogas to large-scale plants. For this reason, we investigate in this paper the possibility of producing methanol in small-scale decentralised plants. We analysed the techno-economic-environmental performance of the downscaling of the standard methanol production via steam reforming and we compared it with the novel synthesis via direct CO2 hydrogenation with green H2. We observed that, with cheap electricity and high methanol value, these processes are both profitable, with a slight advantage for the steam-reforming route. However, the direct CO2 hydrogenation route can be improved by developing tailor-made less costly equipment, thus showing a potential for application in an energy storage context (i.e. with extremely cheap electricity). We also observed that the use of biomethane as feedstock for centralized methanol production shows a similar performance as the localized methanol synthesis, due to the high cost of the raw material. Therefore, we can conclude that, with every technology analysed, the shift towards a biogas-based methanol manufacture results in a more expensive product and that small-scale localized production may play a role in the bio-based methanol supply.

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Simulation and optimization of a methanol synthesis process from different biogas sources

Cited by 104 publications

References 37 publications

A novel approach for kinetic measurements in exothermic fixed bed reactors: advancements in non-isothermal bed conditions demonstrated for methanol synthesis

A novel approach for kinetic measurements in exothermic fixed bed reactors: advancements in non-isothermal bed conditions demonstrated for methanol synthesis

Multiscale modelling of CO2 reduction to methanol over industrial Cu/ZnO/Al2O3 heterogeneous catalyst: Linking ab initio surface reaction kinetics with reactor fluid dynamics

A techno-economic-environmental analysis of the methanol production from biogas and power-to-X

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