Gas‐phase catalytic isomerization of n ‐heptane using Pt/(CrO x /ZrO 2 )‐HMS catalysts: A kinetic modeling

2021 ◽  
Author(s):  
Nastaran Parsafard ◽  
Ali Garmroodi ◽  
Shohreh Mirzaei
Keyword(s):  
Gas Phase ◽  
Kinetic Modeling ◽  
Catalytic Isomerization

A Critique of Gas Phase Propane Radiolysis Based on Kinetic Modeling

1991 ◽  
Vol 55 (3) ◽  
Author(s):  
Avinash K. Gupta ◽  
Robert J. Hanrahan
Keyword(s):  
Gas Phase ◽  
Kinetic Modeling

An experimental and kinetic modeling study of gas-phase autoignition of n-Pentadecane at low-to-high temperatures and elevated pressures

Fuel ◽  
2021 ◽  
Vol 287 ◽  
pp. 119558
Author(s):  
Mohsin Raza ◽  
Jizhen Zhu ◽  
Wenjun Zhong ◽  
Feng Yuan ◽  
Mao Yebing ◽  
...  
Keyword(s):  
Gas Phase ◽  
High Temperatures ◽  
Kinetic Modeling ◽  
Elevated Pressures ◽  
Modeling Study

scholarly journals An experimental, theoretical and kinetic-modeling study of the gas-phase oxidation of ammonia

2020 ◽  
Vol 5 (4) ◽  
pp. 696-711 ◽  
Author(s):  
Alessandro Stagni ◽  
Carlo Cavallotti ◽  
Suphaporn Arunthanayothin ◽  
Yu Song ◽  
Olivier Herbinet ◽  
...  
Keyword(s):  
Kinetic Model ◽  
Gas Phase ◽  
Theoretical Investigation ◽  
Kinetic Modeling ◽  
Ammonia Gas ◽  
Wide Range ◽  
Phase Oxidation ◽  
Detailed Kinetic Model ◽  
Gas Phase Oxidation ◽  
Modeling Study

A wide-range experimental and theoretical investigation of ammonia gas-phase oxidation is performed, and a predictive, detailed kinetic model is developed.

Gas phase 1H NMR studies and kinetic modeling of dihydrogen isotope equilibration catalyzed by Ru-nanoparticles under normal conditions: dissociative vs. associative exchange

2018 ◽  
Vol 20 (16) ◽  
pp. 10697-10712 ◽  
Author(s):  
Hans-Heinrich Limbach ◽  
Tal Pery ◽  
Niels Rothermel ◽  
Bruno Chaudret ◽  
Torsten Gutmann ◽  
...  
Keyword(s):  
Gas Phase ◽  
1H Nmr ◽  
Kinetic Modeling ◽  
Nmr Studies ◽  
Ru Nanoparticles ◽  
Adsorption Surface

Exposure of surface H-containing Ru-nanoparticles to D2 gas produces HD via associative adsorption, surface H-transfer and associative desorption.

The design and photoreaction kinetic modeling of a gas-phase titania foam packed bed reactor

2007 ◽  
Vol 133 (1-3) ◽  
pp. 317-323 ◽  
Author(s):  
A.O. Ibhadon ◽  
I.M. Arabatzis ◽  
P. Falaras ◽  
D. Tsoukleris
Keyword(s):  
Gas Phase ◽  
Kinetic Modeling ◽  
Packed Bed ◽  
Packed Bed Reactor

scholarly journals Analytic versus CFD approach for kinetic modeling of gas phase photocatalysis

2015 ◽  
Vol 262 ◽  
pp. 1-8 ◽  
Author(s):  
Sammy W. Verbruggen ◽  
Silvia Lenaerts ◽  
Siegfried Denys
Keyword(s):  
Gas Phase ◽  
Kinetic Modeling

scholarly journals Connecting Gas-Phase Computational Chemistry to Condensed Phase Kinetic Modeling: The State-of-the-Art

Polymers ◽  
2021 ◽  
Vol 13 (18) ◽  
pp. 3027
Author(s):  
Mariya Edeleva ◽  
Paul H.M. Van Steenberge ◽  
Maarten K. Sabbe ◽  
Dagmar R. D’hooge
Keyword(s):  
Computational Chemistry ◽  
Gas Phase ◽  
Kinetic Modeling ◽  
Condensed Phase ◽  
Controlled Radical Polymerization ◽  
Rate Coefficients ◽  
Present Contribution ◽  
Competitive Reactions ◽  
Concentration Changes ◽  
Phase Systems

In recent decades, quantum chemical calculations (QCC) have increased in accuracy, not only providing the ranking of chemical reactivities and energy barriers (e.g., for optimal selectivities) but also delivering more reliable equilibrium and (intrinsic/chemical) rate coefficients. This increased reliability of kinetic parameters is relevant to support the predictive character of kinetic modeling studies that are addressing actual concentration changes during chemical processes, taking into account competitive reactions and mixing heterogeneities. In the present contribution, guidelines are formulated on how to bridge the fields of computational chemistry and chemical kinetics. It is explained how condensed phase systems can be described based on conventional gas phase computational chemistry calculations. Case studies are included on polymerization kinetics, considering free and controlled radical polymerization, ionic polymerization, and polymer degradation. It is also illustrated how QCC can be directly linked to material properties.

Gas-phase Hydroisomerization of n-Hexane Over Pt/SO4-ZrO2: Kinetic Modeling and Reactor Simulation

2014 ◽  
Vol 32 (23) ◽  
pp. 2786-2794 ◽  
Author(s):  
K. Pather ◽  
D. Lokhat
Keyword(s):  
Gas Phase ◽  
Kinetic Modeling

Kinetic modeling of gas-phase disproportionation and transalkylation of C9 and C10 aromatics over industrial zeolite catalyst

2021 ◽  
Author(s):  
Seyed Amir Nezam Khaksar ◽  
Mohammad Farsi ◽  
Seyed Abdolmajid Khaksar
Keyword(s):  
Gas Phase ◽  
Kinetic Modeling ◽  
Zeolite Catalyst
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