%0 Journal Article
	%A Amer Al Mahmoud Alsheikh and  Jan Žídek and  František Krčma
	%D 2012
	%J International Journal of Chemical and Molecular Engineering
	%B World Academy of Science, Engineering and Technology
	%I Open Science Index 71, 2012
	%T Description of Kinetics of Propane Fragmentation with a Support of Ab Initio Simulation
	%U https://publications.waset.org/pdf/15511
	%V 71
	%X Using ab initio theoretical calculations, we present
analysis of fragmentation process. The analysis is performed in two
steps. The first step is calculation of fragmentation energies by ab
initio calculations. The second step is application of the energies to
kinetic description of process. The energies of fragments are
presented in this paper. The kinetics of fragmentation process can be
described by numerical models. The method for kinetic analysis is
described in this paper. The result - composition of fragmentation
products - will be calculated in future. The results from model can be
compared to the concentrations of fragments from mass spectrum.
	%P 1024 - 1027