COMPUTATIONAL AND STATISTICAL ASPECTS TO CLASSIFY THE SOLVENTS EFFECTS ON DYNAMICS OF O2 MOLECULE

Abstract

In this study an effort has been made to classify the solvent effect on dynamics of a molecule by the means of statistical
parameters. The proposed model comprises of Langevin stochastic differential equation whose solution is obtained through
Euler’s method. A diatomic molecule O2 has been taken and its dynamics has been studied in two different solvent. The proposed
study is concluded through the comparison of simulation results obtained for the motion of a diatomic molecule O2 in two
different solvent. The mathematical model includes the key constraints such as frictional force, intermolecular force, random
force and accelerationon.