A detailed kinetic submechanism for OH<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si202.svg" display="inline" id="d1e2298"><mml:msup><mml:mrow/><mml:mrow><mml:mo>∗</mml:mo></mml:mrow></mml:msup></mml:math> chemiluminescence in hydrogen combustion revisited. Part 1

Sharipov, Alexander S.; Loukhovitski, Boris I.; Pelevkin, Alexey V.; Korshunova, Mayya R.

doi:10.1016/j.combustflame.2024.113407

Combustion and Flame

2024

DOI: 10.1016/j.combustflame.2024.113407

|View full text |Cite

A detailed kinetic submechanism for OH∗ chemiluminescence in hydrogen combustion revisited. Part 1

Alexander S. Sharipov,

Boris I. Loukhovitski,

Alexey V. Pelevkin

et al.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article3

Relationship

Self Cite0

Independent3

Authors

Journals

Cited by 3 publications

References 183 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Theoretical and Experimental Determination of the Rate Constant of the Nonadiabatic Chemiluminescent Reaction H + O + N2 = OH* + N2

Lukhovitskii,

Sharipov,

Arsent’ev

et al. 2024

J Eng Phys Thermophy

View full text Add to dashboard Cite

Theoretical and Experimental Determination of the Rate Constant of the Nonadiabatic Chemiluminescent Reaction H + O + N2 = OH* + N2

Lukhovitskii,

Sharipov,

Arsent’ev

et al. 2024

J Eng Phys Thermophy

View full text Add to dashboard Cite

A detailed kinetic submechanism for OH∗ chemiluminescence in hydrogen combustion revisited. Part 1

Sharipov,

Loukhovitski,

Pelevkin

et al. 2024

Combustion and Flame

View full text Add to dashboard Cite

State-to-State Rate Constants for the O(3P)H2(v) System: Quasiclassical Trajectory Calculations

Pelevkin,

Arsentiev,

Kadochnikov

et al. 2024

Fire

View full text Add to dashboard Cite

The rate constants of elementary processes in the atom–diatom system O(3P)+H2(v), including the processes of vibrational relaxation and dissociation, were studied using the quasiclassical trajectory method. All calculations were carried out along the ground potential energy surface (PES) 3A″ that was approximated by a neural network. Approximation data were obtained using ab initio quantum chemistry methods at the extended multi-configuration quasi-degenerate second-order perturbation theory XMCQDPT2 in a basis set limit. The calculated cross-sections of the reaction channels are in good agreement with the literature data. A complete set of state-to-state rate constants was obtained for the metathesis reaction, the dissociation and relaxation of the H2 molecule upon collision with an O atom. According to these data, Arrhenius approximations over a wide temperature range were obtained for the thermal rate constants of considered processes. Data obtained on the dissociation constants and VT relaxation of vibrationally excited H2 molecules can be used in constructing kinetic models describing the oxidation of hydrogen at high temperatures or highly nonequilibrium conditions.

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

A detailed kinetic submechanism for OH∗ chemiluminescence in hydrogen combustion revisited. Part 1

Cited by 3 publications

References 183 publications

Theoretical and Experimental Determination of the Rate Constant of the Nonadiabatic Chemiluminescent Reaction H + O + N2 = OH* + N2

Theoretical and Experimental Determination of the Rate Constant of the Nonadiabatic Chemiluminescent Reaction H + O + N2 = OH* + N2

A detailed kinetic submechanism for OH∗ chemiluminescence in hydrogen combustion revisited. Part 1

State-to-State Rate Constants for the O(3P)H2(v) System: Quasiclassical Trajectory Calculations

Contact Info

Product

Resources

About