Optimization of rate of chemical reaction using nature inspired optimization algorithms

5^th International Conference on Organic and Inorganic Chemistry

July 12-13, 2018 | Paris, France

Harnoor Singh Kaler

Thapar Institute of Engineering and Technology, India

Posters & Accepted Abstracts: J Chemical Sci

Abstract :

Chemical reaction involves transformation of reactant into product. Rate of chemical reaction is the measure of how fast these changes are taking place. Some reactions occur very rapidly, others very slowly. For example, ionic reactions are very fast, while those taking place in water treatment plant may last upto few days. The speed at which the reaction happens is the rate of chemical reaction. If a chemical reaction has high rate, shows that molecule combines at a higher rate than the reaction has slow rate. The rate of chemical reaction can also depend up on the type of molecules that are combining. If there are low concentration of an essential element or a compound, the reaction will be slower. In this paper we present optimized rate of chemical reaction using for different nature inspired algorithms i.e. random, Genetic Algorithm, Differential Evolution and Particle Swarm Optimization to maximize the rate of chemical reaction. Tests show that different algorithms perform significantly better for different reactions and have different convergence rate. In this paper, we use an object-oriented software tool named Cantera to calculate the rate of reaction which uses modified Arrhenius equation. Cantera is a software tool to solve the problems in the fields of transport processes, chemical kinetics and thermodynamics: Problems related to combustion, electrochemical energy conversion, storage and rate of chemical reaction can be solved using Cantera. We can use Cantera from Forton 90 or C++ based application. In this paper we have used python interface because there are many advantages for choosing python over any other language as it covers almost all the features of basic C++ and object-oriented concepts and in addition it provides a flexible environment. Cantera uses modified Arrhenius equation for getting value of rate constant r=PK^n.e^(-Ea/GK).