Kinetic calculation: Software tool for determining the kinetic parameters of the thermal decomposition process using the Vyazovkin Method
| Autor: | Sergey Anatolevich Sozykin, Natalia Krupina, Natalia D. Ivanova, Tatyana G. Krupnova, Tatiana Olenchikova, Dmitry Drozin, V. V. Avdin |
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| Rok vydání: | 2020 |
| Předmět: |
Chemical process
Thermogravimetric analysis Materials science Kinetic energy 01 natural sciences 03 medical and health sciences Software 0103 physical sciences Thermal Decomposition (computer science) Thermal decomposition 010306 general physics Thermal analysis 030304 developmental biology lcsh:Computer software 0303 health sciences business.industry Computer Science Applications lcsh:QA76.75-76.765 Vyazovkin method Kinetic parameters Biological system business |
| Zdroj: | SoftwareX, Vol 11, Iss, Pp-(2020) |
| ISSN: | 2352-7110 |
| DOI: | 10.1016/j.softx.2019.100359 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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