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

SoftwareX

Natalia Krupina¹  Tatyana Krupnova²  Dmitry Drozin³  Natalia Ivanova³  Tatiana Olenchikova³  Viacheslav Avdin³  Sergey Sozykin³ 

[1]Institute of Natural Sciences and Mathematics, South Ural State University, 454080 Chelyabinsk, Russia

[2]Corresponding author.

[3]Institute of Natural Sciences and Mathematics, South Ural State University, 454080 Chelyabinsk, Russia

关键词: Thermal decomposition;    Thermogravimetric analysis;    Kinetic parameters;    Vyazovkin method;   

DOI  :  

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown