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Abstract  

Copper chromite catalysts were prepared by using a new metal organic precursor, M(OR)n, which was dissolved in organic solvent, hydrolysed and condensed to form inorganic polymers containing M-O-M linkages. In the cases of Ba and Mn promotion, the corresponding metal oxide was admixed to the copper-chromium solution prior to gelification. After drying in helium atmosphere, the precursor was subjected to thermal treatment at different temperatures (373-873 K) and in different atmospheres (air, nitrogen or hydrogen). Both the catalysts and the industrial Engelhard catalyst were characterized by various techniques (TG-DTA, HTXRD, IR, BET, metallic copper surface area and porosimetry measurements) and evaluated for ester hydrogenation.

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Journal of Thermal Analysis and Calorimetry
Authors: R. Nomen, M. Bartra, J. Sempere, E. Serra, J. Sales, and X. Romero

Summary  

Estimation methods developed over years by S. W. Benson and co-workers for calculation the thermodynamic properties of organic compounds in the gas phase are applied to a pharmaceutical real process with all type of non-idealities. The different strategies used to calculate the reaction enthalpy of a chemical process, in the absence of data for complex molecules, using the Benson group additivity method are presented and also compared with the experimental value of reaction enthalpy obtained using reaction calorimetry (Mettler-Toledo, RC1). We demonstrate that there are some strategies that can be followed to obtain a good estimation of the reaction enthalpy in order to begin the safety assessment of a chemical reaction. This work is part of an industrial project [1] in which the main objective was the risk assessment of chemical real and complex processes using the commonly available tools for the SMEs (with limited resources).

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