Plasma-relevant electron scattering cross sections of propene

Abstract

Propene (C 3 H 6 ) is considered to be an important molecule in the field of plasma science due to it being recognized as a by-product of plasma irradiation at the diverter regions and plasma facing walls in modern fusion devices. This article reports electron scattering elastic, momentum transfer, differential and excitation cross sections of propene. The rate coefficients for the elastic and momentum transfer cross sections are also reported. The data reported in this article are considered to be important in the field of plasma physics due to their direct influence on plasma modeling applications. Two theoretical methods were used for the present study; the R-matrix method for low energy and spherical complex optical potential formalism for high energy. The R-matrix calculation was performed using the correlation-consistent polarized valence-only triple-zeta basis set and a reasonable agreement with the target properties was obtained. The scattering calculations were then performed using these parameters to compute various cross sections. The present cross sections compare reasonably well with the only available data in the literature. More experimental studies of a similar nature are encouraged for the validation of the present results.

Low-Energy Electron Scattering from c-C4F8

“…QEC is new expert system that replaces Quantemol-N [26] and runs the upgraded R-matrix code. Quantemol-N has been successfully used for low-energy collision cross-section calculations for a variety of molecular targets [27][28][29][30][31]. Initial studies were performed with Quantemol-N, while the final results given below were all obtained using QEC.…”

Electron scattering studies of BF and BF2

“…In the present work, we have used the spherical complex optical potential (SCOP) method to predict the elastic and MTCS at intermediate energies (up to 2000 eV). A detailed description of this method can be obtained from our previous articles [27,[48][49][50][51]. Here, we present an overview of the calculation.…”

“…We have used the Quantemol-N [22] to run the UK molecular R-matrix codes [21]. Through the years, R-matrix calculations have been shown to successfully predict accurate cross section data for a number of molecular targets using the Quantemol-N [22][23][24][25][26][27]. Within the fixed nuclei approximation, the R-matrix theory is primarily constructed on the division of coordinate space into an inner and outer region to treat electron molecule scattering.…”

“…A detailed description of this method can be obtained from our previous articles [27,[48][49][50][51]. Here, we present an overview of the calculation.…”

Low-Energy Electron Scattering from Dimethyl Ether

“…We provide only a brief idea of the theoretical approach. The details can be found in previous articles. , In the R-matrix method, the configuration space is divided into an inner and outer region. The inner region is intricate to solve and is chosen in such a way that all the wave functions of the N target electrons are incorporated in it, and the center of the inner region coincides with the center of the target molecule.…”