Hydrogenation of edible oil over Pd catalysts: A combined theoretical and experimental study.

MARÍA BELÉN FERNÁNDEZ; GABRIELA TONETTO; GUILLERMO CRAPISTE; MARÍA LUJÁN FERREIRA; DANIEL EDUARDO DAMIANI

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Año: 2005 vol. 237 p. 67 - 79

1381-1169

Studies of the hydrogenation of sunflower oil on supported Pd catalysts were made. The reaction was investigated at 100° C and 60 psi using a semi batch reactor. Hydrogenation of models compound (4-decene and 4,7-decene) over a different Pd clusters have been investigated using a Molecular mechanics approach to analyse the steric interactions plus a Molecular Orbital approach of the Extended Hückel type, including repulsion terms.