I take TGA of my samples and want to calculate kinetic and thermodynamic parameters for the reaction like activation energy, frequency factor, standard entropy and gibbs free energy etc. using various models like broido, coat and redfern, H-M, F-C model etc, so please suggest me any computer software for such calculations.
I know that Netzsch company has a very good softaware for kinetic analysis. It is one of the best in the world I think. This software contains different model and model free methods. But it is not free of charge. May be they have free demo-version of this product on their web-site. The name of programm is Thermokinetics.
I know that Netzsch company has a very good softaware for kinetic analysis. It is one of the best in the world I think. This software contains different model and model free methods. But it is not free of charge. May be they have free demo-version of this product on their web-site. The name of programm is Thermokinetics.
Hello Jaydeep,
I am Dr. Gupta from school of chemical sciences, North Maharashtra University, Jalgaon, working on TGA-DSC, and able to solve various models to find out Ea, thermodynamic parameters for activation. you send me the details about your experimentation and then the data files, and I will help you to solve the model.
With Best Luck,
Regards,
Dr. G. R> Gupta
For the treatment of kinetic data, in our recent paper there is published a new incremental isoconversional method for the determination of Arrhenian kinetic parameters. The code of the program is a supplementary material to the paper. Citation: T.Dubaj, Z.Cibulkova, P.Simon, Journal of Computational Chemistry 2014, DOI: 10.1002/jcc.23813: An Incremental Isoconversional Method for Kinetic Analysis Based on the Orthogonal Distance Regression.
Dear Prof. Simon
Can you please send me privately the paper and the program (CD or attachment) on [email protected].
Dear Aiman Al-Rawajfeh,
we displayed the paper, program and instructions at the webpage
http://www.chtf.stuba.sk/v4conference/increm/
You can download it.
Kindest regards,
Peter Simon.
A short note. The method referenced by Peter is a model-free method. In principle, the conversion function (i.e., model) can be determined by any suitable procedure. However, it would be unnecessary to do so. The "model" only rarely reflects the mechanism of the process, hence, its explanatory power is often dubious.
In addition, all the methods for model determination are bassed on "force-fitting", that is, the model function is either completely empirical (e.g., Sestak-Berggren) or selected from a "standardized set" of models derived under various assumptions. In other words, the model is never "determined", it is only "selected", no matter how sophisticated the procedure is.
An inconvenient truth is that if the kinetic parameters are conversion-dependent, then any selected model is practically meaningless.
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