Development and theoretical analysis of mathematical expressions for change of entropy for exothermic reactions in different reacting environments and conditions for minimization of energy losses in the process

This paper introduces a novel technique and algorithm for theoretical study of entropy changes for exothermic reactions by mechanistic modelling and dynamic simulation; considering factors such as kinetics, reaction environment and flow patterns with an ultimate objective of minimization of energy loss and entropy generation in the system. It mainly focuses on exothermic reactors cooled by means of a constant inlet temperature utility fluid which flows along the external surface of the reactor vessel. Using basic concepts of heat and mass balances and definitions in thermodynamics, variation of related system variables with time is modelled and by simulation in MS-Excel, a polynomial fit is generated for sample problems in order to make the illustrations handier. Usages of the developed expressions for energy optimization are also commented upon.