Kinetic calculation: Software tool for determining the kinetic parameters of the thermal decomposition process using the Vyazovkin Method | Zendy

D.A. Drozin | Zendy; С. А. Созыкин | Zendy; Наталья Дмитриевна Иванова | Zendy; Tatiana Olenchikova | Zendy; Tatyana G. Krupnova | Zendy; Natalia Krupina | Zendy; В. В. Авдин | Zendy

Open Access

Kinetic calculation: Software tool for determining the kinetic parameters of the thermal decomposition process using the Vyazovkin Method

Author(s) -

D.A. Drozin,

С. А. Созыкин,

Наталья Дмитриевна Иванова,

Tatiana Olenchikova,

Tatyana G. Krupnova,

Natalia Krupina,

В. В. Авдин

Publication year - 2019

Publication title -

softwarex

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.528

H-Index - 21

ISSN - 2352-7110

DOI - 10.1016/j.softx.2019.100359

Subject(s) - thermal decomposition , kinetic energy , process (computing) , software , decomposition , thermal , computer science , interface (matter) , chemical process of decomposition , property (philosophy) , biological system , algorithm , thermodynamics , chemistry , physics , programming language , parallel computing , classical mechanics , organic chemistry , bubble , maximum bubble pressure method , biology , philosophy , epistemology

Thermal analysis is widely applied to determine the composition of materials and predict their thermal stability. This paper introduces the basic features of a new software called Kinetic Calculation. Knowledge of the kinetic parameters of thermal decomposition is used to optimize chemical processes. The software can analyze different types of thermal curves depicting the changes to a given property of a material measured throughout a process. The Kinetic Calculation calculates the substance decomposition parameters using the Vyazovkin method and a simpler Ozawa–Flynn–Wall method for comparison. The substance of copper sulfate pentahydrate decomposition experiment was conducted to demonstrate the operation of the Kinetic Calculation program. This software has several advantages such as an easy interface, the ability to calculate an unlimited number of heating rates and any of their values, and independent selection of temperature intervals at each stage of the decomposition. Unlike analogous programs, Kinetic Calculations can calculate real heating rate according to experimental data.

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