Modelling of packed bed and coated wall microreactors for methanol steam reforming for hydrogen production

Hafeez, Sanaa; Aristodemou, Elsa; Manos, George; Al–Salem, S.M.; Constantinou, Achilleas

doi:10.1039/d0ra06834a

Cited by 28 publications

(14 citation statements)

References 36 publications

(39 reference statements)

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“…As opposed to experimental work which can often be time consuming and costly. Hence, CFD is a promising approach/methodology in calculating the parameters thus, facilitating a thorough study of the physicochemical processes involved [24,30]. CFD is an integrated methodology in the package that was employed and can further facilitate the design of experimental studies.…”

Section: Modelling Of Packed Bed Microreactormentioning

confidence: 99%

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Decomposition of Additive-Free Formic Acid Using a Pd/C Catalyst in Flow: Experimental and CFD Modelling Studies

et al. 2021

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The use of hydrogen as a renewable fuel has gained increasing attention in recent years due to its abundance and efficiency. The decomposition of formic acid for hydrogen production under mild conditions of 30 °C has been investigated using a 5 wt.% Pd/C catalyst and a fixed bed microreactor. Furthermore, a comprehensive heterogeneous computational fluid dynamic (CFD) model has been developed to validate the experimental data. The results showed a very good agreement between the CFD studies and experimental work. Catalyst reusability studies have shown that after 10 reactivation processes, the activity of the catalyst can be restored to offer the same level of activity as the fresh sample of the catalyst. The CFD model was able to simulate the catalyst deactivation based on the production of the poisoning species CO, and a sound validation was obtained with the experimental data. Further studies demonstrated that the conversion of formic acid enhances with increasing temperature and decreasing liquid flow rate. Moreover, the CFD model established that the reaction system was devoid of any internal and external mass transfer limitations. The model developed can be used to successfully predict the decomposition of formic acid in microreactors for potential fuel cell applications.

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Section: Modelling Of Packed Bed Microreactormentioning

confidence: 99%

“…Packed bed microreactors can be categorised as having channel dimensions of up to 10 mm [24]. Several studies have investigated fuel production in packed bed microreactors [28][29][30][31].…”

Section: Introductionmentioning

confidence: 99%

Decomposition of Additive-Free Formic Acid Using a Pd/C Catalyst in Flow: Experimental and CFD Modelling Studies

et al. 2021

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“…Larger scale packed bed reactors will require the use of larger sized catalyst particles, and this can lead to pore diffusion limitations within the reactor. As a result, lower reactant conversions are observed [31]. Using smaller sized catalyst particles can diminish this problem.…”

Section: Process Description and Mathematical Formulaementioning

confidence: 99%

Process Simulation Modelling of the Catalytic Hydrodeoxygenation of 4-Propylguaiacol in Microreactors

Hafeez

Mahmood²,

Aristodemou

et al. 2021

Fuels

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A process simulation model was created using Aspen Plus to investigate the hydrodeoxygenation of 4-propylguaiacol, a model component in lignin-derived pyrolysis oil, over a presulphided NiMo/Al2O3 solid catalyst. Process simulation modelling methods were used to develop the pseudo-homogeneous packed bed microreactor. The reaction was conducted at 400 °C and an operating pressure of 300 psig with a 4-propylguaiacol liquid flow rate of 0.03 mL·min−1 and a hydrogen gas flow rate of 0.09 mL·min−1. Various operational parameters were investigated and compared to the experimental results in order to establish their effect on the conversion of 4-propylguaiacol. The parameters studied included reaction temperature, pressure, and residence time. Further changes to the simulation were made to study additional effects. In doing so, the operation of the same reactor was studied adiabatically, rather than isothermally. Moreover, different equations of state were used. It was observed that the conversion was enhanced with increasing temperature, pressure, and residence time. The results obtained demonstrated a good model validation when compared to the experimental results, thereby confirming that the model is suitable to predict the hydrodeoxygenation of pyrolysis oil.

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“…Detailed information regarding the catalytic performance of Ni/ZrO 2 can be sought in Papageridis et al [3]. Theoretical modelling using CFD has proven to be a valuable tool for investigating many reactions generating renewable fuels [24][25][26][27][28][29]. A detailed heterogeneous CFD model has been developed to validate experimental data, and a good agreement was observed, proving the validity and robustness of the CFD model.…”

Section: Introductionmentioning

confidence: 95%

Theoretical Investigation of the Deactivation of Ni Supported Catalysts for the Catalytic Deoxygenation of Palm Oil for Green Diesel Production

et al. 2021

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For the first time, a fully comprehensive heterogeneous computational fluid dynamic (CFD) model has been developed to predict the selective catalytic deoxygenation of palm oil to produce green diesel over an Ni/ZrO2 catalyst. The modelling results were compared to experimental data, and a very good validation was obtained. It was found that for the Ni/ZrO2 catalyst, the paraffin conversion increased with temperature, reaching a maximum value (>95%) at 300 °C. However, temperatures greater than 300 °C resulted in a loss of conversion due to the fact of catalyst deactivation. In addition, at longer times, the model predicted that the catalyst activity would decline faster at temperatures higher than 250 °C. The CFD model was able to predict this deactivation by relating the catalytic activity with the reaction temperature.

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Modelling of packed bed and coated wall microreactors for methanol steam reforming for hydrogen production

Abstract: A Computational Fluid Dynamics (CFD) study has been conducted to assess the performance of packed bed and coated wall microreactors for the steam reforming of methanol with a CuO/ZnO/Al2O3 based catalyst (BASF F3-01).

Cited by 28 publications

References 36 publications

Decomposition of Additive-Free Formic Acid Using a Pd/C Catalyst in Flow: Experimental and CFD Modelling Studies

Decomposition of Additive-Free Formic Acid Using a Pd/C Catalyst in Flow: Experimental and CFD Modelling Studies

Process Simulation Modelling of the Catalytic Hydrodeoxygenation of 4-Propylguaiacol in Microreactors

Theoretical Investigation of the Deactivation of Ni Supported Catalysts for the Catalytic Deoxygenation of Palm Oil for Green Diesel Production

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