Modeling the Impact of Solid Surfaces in Thermal Degradation Processes
Published in ChemPhysChem
* This author is not affiliated with PMI.
First-principles simulations are carried out to generate reaction profiles for the initial steps of the thermal decomposition of glycerol, propylene glycol, and triacetin over the surfaces of pseudo-amorphous carbon and silica, crystalline zirconia , and crystalline alumina (0001).
Published OnNovember 23, 2012