{"title":"Analytical expressions of non-steady state concentration profiles of chemical-clock reactions","authors":"V. Ananthaswamy, P. F. Shirly","doi":"10.1063/5.0058274","DOIUrl":null,"url":null,"abstract":"This paper provides an analytical approach for examining model kinetic schemes for the study on the existence of chemical clock reaction behaviour. When it exists, simple analytical expressions are derived for the induction and inhibition periods. Analytical expressions for the concentration of the reactant, auto catalyst and inhibitor chemical have been formulated for all values of the parameters using Homotopy analysis method. Then, the complex inversion formula is deployed to solve the boundary value problem. In this work the numerical simulation of the problem is studied using MATLAB simulation to examine the reaction schemes of the system. A satisfactory agreement between analytical and numerical results is noted. Analytical minimum wave speed is also calculated for various values of the reaction rate constant.","PeriodicalId":359324,"journal":{"name":"INTERNATIONAL VIRTUAL CONFERENCE ON RECENT MATERIALS AND ENGINEERING APPLICATIONS FOR SUSTAINABLE ENVIRONMENT (ICRMESE2020)","volume":"13 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2021-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"INTERNATIONAL VIRTUAL CONFERENCE ON RECENT MATERIALS AND ENGINEERING APPLICATIONS FOR SUSTAINABLE ENVIRONMENT (ICRMESE2020)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1063/5.0058274","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
This paper provides an analytical approach for examining model kinetic schemes for the study on the existence of chemical clock reaction behaviour. When it exists, simple analytical expressions are derived for the induction and inhibition periods. Analytical expressions for the concentration of the reactant, auto catalyst and inhibitor chemical have been formulated for all values of the parameters using Homotopy analysis method. Then, the complex inversion formula is deployed to solve the boundary value problem. In this work the numerical simulation of the problem is studied using MATLAB simulation to examine the reaction schemes of the system. A satisfactory agreement between analytical and numerical results is noted. Analytical minimum wave speed is also calculated for various values of the reaction rate constant.