A method to determine kinetic triplet by coupled with model-free method and model-fitting method

Volume: 11 | Issue: 01 | Year 2025 | Subscription
International journal of Thermodynamics and Chemical Kinetics
Received Date: 02/01/2025
Acceptance Date: 02/07/2025
Published On: 2025-02-09
First Page: 1
Last Page: 13

Journal Menu

By: Jong Hyon Kim, Chol Min Kim, Jin Guk Pak, and Su Il Kim

High-Tech Research and Development Center, Kim Il Sung University, Pyongyang, Democratic People’s Republic of Korea.

Abstract

The present study is aimed to obtain integral linear method using rational expressions given by Senum and Yang, and a method of selecting the reaction model more quickly and easily and compute the activation energy and pre- exponential factor more accurately was proposed. An improved linear integral procedure coupled with one model-free method and one model-fitting method for the determination of kinetic triplet using non-isothermal data recorded at several heating rates has been suggested. The accuracy and applicability of the obtained values of the kinetic parameters via using non-isothermal techniques is certainly related to accuracy of the integral approximations. Considering the fact that there must be the approximation in the induction of various kinetic methods, we can’t make sure that any specific value is more accurate than the others in the computing results. In order to confirm the accuracy and applicability of research, the suggested method in comparison with often used logical choice method was applied to artificial data following theoretical TG curves for 4-amino-1, 2, 4- triazol-5-one (ATO) and NaHCO 3 . The calculated results using this method for E and A are very close to the true values and also the selected mechanism function completely coincides with the result obtained by using well-known methods, the suggested method offers advantages of accuracy and speed over used method. The results showed that improved method allows for trustworthy estimates of kinetic triplet and this is quite useful in the kinetic analysis. Thus it is considered by an alternative method applicable to the investigation of thermal decomposition kinetics.

Loading

Citation:

How to cite this article: Jong Hyon Kim, Chol Min Kim, Jin Guk Pak, and Su Il Kim, A method to determine kinetic triplet by coupled with model-free method and model-fitting method. International journal of Thermodynamics and Chemical Kinetics. 2025; 11(01): 1-13p.

How to cite this URL: Jong Hyon Kim, Chol Min Kim, Jin Guk Pak, and Su Il Kim, A method to determine kinetic triplet by coupled with model-free method and model-fitting method. International journal of Thermodynamics and Chemical Kinetics. 2025; 11(01): 1-13p. Available from:https://journalspub.com/publication/ijtck/article=14996

Refrences:

  1. Haoqun Li, Tianmin Shao, Desheng Li, Darong Chen, Nonisothermal reaction kinetics of diasporic bauxite. Thermochimica Acta, 2005, 427, 9–12. https://dx.doi.org/10.1016/j.tca.2004.08.016
  2. Xin Zhang, Applications of Kinetic Methods in Thermal Analysis: A Review. Eng. Sci., 2021, 14, 1–13. https://dx.doi.org/10.30919/es8d1132
  3. C. Doyle, Estimating isothermal life from thermogravimetric data. J. Appl. Polym. Sci., 1962, 6, 639–642. https://doi.org/10.1002/app.1962.070061914
  4. A.W. Coats, J. Redfern, Kinetic parameters from thermogravimetric data. Nature, 1964, 201 (4914), 68–69. https://doi.org/10.1038/201068a0
  5. Joseph H. Flynn, Leo A. Wall, A quick, direct method for the determination of activation energy from thermogravimetric data. Res. J. Natl. Bur. Stand. A: Phys. Chem., 1966, 70A, 487–523. https://doi.org/10.1002/pol.1966.110040504
  6. A. Al-Mulla, H. I. Shaban, Thermal degradation of poly(trimethylene terephthalate) and acrylonitrile butadiene styrene blends: Kinetic analysis of thermogravimetric data. Int. J. Polym. Mater., 2008, 57 (3), 275–287. https://dx.doi.org/10.1080/00914030701476931
  7. Zhiming Gao, Huixian Wang, Masahiro Nakada, Iterative method to improve calculation of the pre-exponential factor for dynamic thermogravimetric analysis measurements. Polymer, 2006, 47, 1590–1596. https://doi.org/10.1016/j.polymer.2006.01.053
  8. G. I. Senum, R. T. Yang, Rational approximations of the integral of the Arrhenius function. J. Therm. Anal., 1977, 11, 445–447. https://doi.org/10.1007/bf01903696
  9. M. Abramowitz, I. A. Stegun (Eds.), Handbook of Mathematical Functions. Dover Publications, Inc., 1965, Chapter 5.
  10. Ruiyu Chen, Quanwei Li, Xiaokang Xu, Dongdong Zhang, Ronglin Hao, Combustion characteristics, kinetics and thermodynamics of Pinus sylvestris pine needle via non-isothermal thermogravimetry coupled with model-free and model-fitting methods. Case Stud. Therm. Eng., 2020, 22, 100756. https://doi.org/10.1016/j.csite.2020.100756
  11. Yang Zhengquan, Hu Rongzu, Xie Yi, A new method to estimate kinetic parameters from a single non-isothermal DSC curve. Thermochimica Acta, 1992, 195, 157–162. https://doi.org/10.1016/0040-6031(92)80058-5
  12. Zhang Tonglai, Hu Rongzu, Li Fuping, A method to determine the non-isothermal kinetic parameters and select the most probable mechanism function using a single non-isothermal DSC curve. Thermochimica Acta, 1994, 244, 177–184. https://doi.org/10.1016/0040-6031(94)80217-3
  13. J. Pysiak, Barbara Pacewska, Thermal dissociation of basic aluminium ammonium sulfate in vacuum. J. Therm. Anal., 1980, 19, 89–97. https://doi.org/10.1007/bf01928434
  14. J. Zsako, Kinetic analysis of thermogravimetric data. J. Therm. Anal., 1998, 54, 921–929. https://doi.org/10.1021/j100853a022
  15. J.S. Chhabra, M.B. Talawar, P.S. Makashir, S.N. Asthana, Haridwar Singh, Synthesis, characterization and thermal studies of (Ni/Co) metal salts of hydrazine: Potential initiatory compounds. J. Hazard. Mater., 2003, A99, 225–239. https://doi.org/10.1016/s0304-3894(02)00247-9
  16. Sergey Vyazovkin, Charles A. Wight, Kinetics of thermal decomposition of cubic ammonium perchlorate. Chem. Mater., 1999, 11, 3386–3393. https://doi.org/10.1021/cm9904382
  17. Xiaogang Mu, Xuanjun Wang, Xiangxuan Liu, Youzhi Zhang, Thermal decomposition performance of unsymmetrical dimethylhydrazine (UDMH) oxalate. Propellants, Explosives, Pyrotechnics, 2012, 37, 316–319. https://doi.org/10.1002/prep.201100078
  18. Hai-Xia Ma, Ji-Rong Song, Rong-Zu Hu, Qing Pan, Yuan Wang, Non-isothermal decomposition kinetics, thermal behavior and computational detonation properties of 4-amino-1,2,4-triazol-5-one (ATO). J. Anal. Appl. Pyrolysis, 2008, 83, 145–150. https://doi.org/10.1016/j.jaap.2008.07.007
  19. Bojan Janković, Borivoj Adnađević, The use of the IKP method for evaluating the kinetic parameters and the conversion function of the thermal decomposition of NaHCO₃ from nonisothermal thermogravimetric data. Int. J. Chem. Kinet., 2007, 39, 462–471. https://doi.org/10.1002/kin.20256
  20. Juan P. Yasnó, Susana Conconi, Arnaldo Visintin, Gustavo Suárez, Non-isothermal reaction mechanism and kinetic analysis for the synthesis of monoclinic lithium zirconate (m-Li₂ZrO₃) during solid-state reaction. J. Anal. Sci. Technol., 2021, 12, 15. https://doi.org/10.1186/s40543-021-00267-5

 Previous Article
Next Article