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        Phenomenological approaches for quantitative temperature-programmed reduction (TPR) and desorption (TPD) analysis

        Simoní Da Ros,Karen Aline Valter Flores,Marcio Schwaab,Elisa Barbosa-Coutinho,Nádia R.C. Fernandes,José Carlos Pinto 한국공업화학회 2021 Journal of Industrial and Engineering Chemistry Vol.94 No.-

        Temperature-programmed reduction (TPR) and temperature-programmed desorption (TPD) aretechniques widely used for catalyst characterization, providing information about active sites. However,results from these experiments are usually interpreted with the aid of empirical models, based on therepresentation of reduction or desorption profiles as summations of empirical reference curves. In thiscontext, phenomenological approaches can present several advantages over this traditional empiricalapproach, as in this case the extracted information can be based on theoretical models that allows for adeeper understanding of the catalyst properties. For this reason, in the present work, empirical andphenomenological modelling approaches are evaluated for the quantitative analysis of H2-TPR and NH3-TPD profiles, obtained from the characterization of Ni/SiO2 and Al2O3 alumina catalysts, respectively, andresults from both approaches are thoroughly compared and discussed for thefirst time. Our results,obtained from thefitting of both modelling approaches to the whole experimental profile by usingnonlinear regression, indicate that the phenomenological modelling approach can be considered betterand should therefore be preferred, as it allows for significantly more accurate quantification and correctdiscrimination of distinct active sites, in addition to simultaneously enabling the determination ofreduction or desorption kinetics parameters.

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