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dc.contributor.authorModisha, Phillimon
dc.contributor.authorGaridzirai, Rudaviro
dc.contributor.authorOuma, Cecil N.M.
dc.contributor.authorBessarabov, Dmitri
dc.contributor.authorGqogqa, Pumeza
dc.identifier.citationModisha, P. et al. 2019. Evaluation of catalyst activity for release of hydrogen from liquid organic hydrogen carriers. International journal of hydrogen energy, 44(39): 21926-21935. []en_US
dc.description.abstractThis contribution investigate the effect of parameters for production of hydrogen by catalytic dehydrogenation of perhydrodibenzyltoluene (H18-DBT). The sensitivity of the dehydrogenation reaction to temperature (290–320 °C) is justified by an increase in degree of dehydrogenation (DoD) from 40 to 90% when using 1 wt % Pt/Al2O3 catalyst. However, the increase in temperature increases the hydrogen production rate and decreases the hydrogen purity by increasing the formation of by-products. In addition, the DoD of 96% is obtained when 2 wt % Pt/Al2O3 is used at 320 °C. The DoD obtained for Pd, Pt, and Pt–Pd catalysts is 11, 82 and 6%, respectively. Therefore, Pd is not a metal of choice for dehydrogenation of H18-DBT, in both monometallic and bimetallic system. The ab-initio density functional theory (DFT) calculations are consistent with this observation. Furthermore, dehydrogenation of H18-DBT followed 1st order reaction kinetics and the activation energies for 1 wt % Pt/Al2O3, 1 wt % Pd/Al2O3 and 1:1 wt % Pt–Pd/Al2O3 catalysts are: 205, 84 and 66 kJ/mol, respectivelyen_US
dc.subjectDegree of dehydrogenationen_US
dc.subjectMetal dispersionen_US
dc.subjectReduction temperatureen_US
dc.subjectFirst-order reaction kineticsen_US
dc.subjectDensity functional theoryen_US
dc.subjectHydrogen purityen_US
dc.titleEvaluation of catalyst activity for release of hydrogen from liquid organic hydrogen carriersen_US
dc.contributor.researchID22730389 - Bessarabov, Dmitri Georgievich
dc.contributor.researchID30916364 - Ouma, Cecil Naphtaly Moro
dc.contributor.researchID25816268 - Modisha, Phillimon Mokanne
dc.contributor.researchID31831435 - Garidzirai, Rudaviro

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