scholarly journals Ab Initio Kinetics of Initial Thermal Pyrolysis of Isopropyl Propionate: A Revisited Study

ACS Omega ◽  
2021 ◽  
Author(s):  
Tam V.-T. Mai ◽  
Lam K. Huynh
2021 ◽  
Vol 23 (10) ◽  
pp. 6141-6153
Author(s):  
Jianwei Cao ◽  
Yanan Wu ◽  
Haitao Ma ◽  
Zhitao Shen ◽  
Wensheng Bian

Quantum dynamics and ring polymer molecular dynamics calculations reveal interesting dynamical and kinetic behaviors of an endothermic complex-forming reaction.


2010 ◽  
Vol 17 (3) ◽  
pp. 415-422 ◽  
Author(s):  
Hari Ji Singh ◽  
Bhupesh Kumar Mishra

2007 ◽  
Vol 111 (11) ◽  
pp. 2156-2165 ◽  
Author(s):  
Lam K. Huynh ◽  
Sylwester Panasewicz ◽  
Artur Ratkiewicz ◽  
Thanh N. Truong

Author(s):  
E. Busillo ◽  
V. I. Savchenko ◽  
V. S. Arutyunov

Abstract A detailed kinetic modeling of the noncatalytic processes of thermal pyrolysis and steam and carbon dioxide reforming of methane revealed almost completely identical kinetics of the methane conversion in these processes. This suggests that, in the temperature range 1400–1800 K, the initial stage of conversion of methane in all these processes is its thermal pyrolysis. The modeling results agree well with the experimental data on methane pyrolysis. For the temperature range examined, the Arrhenius expressions (pre-exponential factors and activation energy) were obtained in the first-order kinetics approximation for the rate of methane conversion in the processes studied. The expressions derived may be useful for making preliminary estimates and carrying out engineering calculations.


2018 ◽  
Vol 706 ◽  
pp. 280-284 ◽  
Author(s):  
Tam V.-T. Mai ◽  
Minh v. Duong ◽  
Hieu T. Nguyen ◽  
Kuang C. Lin ◽  
Lam K. Huynh

2000 ◽  
Vol 41 (3) ◽  
pp. 383-392
Author(s):  
Nagahiro Saito ◽  
Takahiro Ishizaki ◽  
Akio Fuwa
Keyword(s):  

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