Investigação teórica do espalhamento de elétrons pela molécula de Formiato de Metila (HCOOCH3)

Abstract

From the environmental-conservation point of view, the search of renewable energy sources is certainly one of the most important strategies for all countries aiming for the sustainable development. Among them, the use of biodiesels replacing fossil fuels constitutes an important step towards this direction. Chemically, biodiesels are mixture of esters with long carbon chains. They can be obtained from vegetable oils or animal fats via transesterication. In this sense, the investigation on electron interaction with small esters is important which may help to the understanding of combustion of biodiesels. Despite that, to our knowledge, there are no other experimental or theoretical studies of electron collisions with such class of compounds. In the present study, we report a theoretical study on electron collisions with methyl formate. More specifically, elastic differential (DCS), integral (ICS), and momentumtransfer (MTCS) cross sections, as well as grand-total (TCS) and total absorption (TACS) cross sections for electron scattering by methyl formate were determined in the 1-500 eV energy range, using a combination of molecular complex optical potential (MCOP) and Padé approximant method.