Mean field treatment of heterogeneous steady state kinetics

Geva, Nadav; Vaissier, Valerie; Shepherd, James; Van Voorhis, Troy

doi:10.1016/j.cplett.2017.07.011

Title: Mean field treatment of heterogeneous steady state kinetics

Full Record
Other Related Research

Authors:: Geva, Nadav; Vaissier, Valerie; Shepherd, James; Van Voorhis, Troy

Publication Date:: 2017-10-01

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1562757

Grant/Contract Number:: ER46474

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Chemical Physics Letters

Additional Journal Information:: Journal Name: Chemical Physics Letters Journal Volume: 685 Journal Issue: C; Journal ID: ISSN 0009-2614

Publisher:: Elsevier

Country of Publication:: Netherlands

Language:: English

Citation Formats


                    Geva, Nadav, Vaissier, Valerie, Shepherd, James, and Van Voorhis, Troy. Mean field treatment of heterogeneous steady state kinetics.  Netherlands: N. p., 2017. 
Web.  doi:10.1016/j.cplett.2017.07.011.

Copy to clipboard


                    Geva, Nadav, Vaissier, Valerie, Shepherd, James, & Van Voorhis, Troy. Mean field treatment of heterogeneous steady state kinetics.  Netherlands.  https://doi.org/10.1016/j.cplett.2017.07.011

Copy to clipboard


                    Geva, Nadav, Vaissier, Valerie, Shepherd, James, and Van Voorhis, Troy. Sun .  
"Mean field treatment of heterogeneous steady state kinetics".  Netherlands.  https://doi.org/10.1016/j.cplett.2017.07.011.

Copy to clipboard


                    
@article{osti_1562757,

  title        = {Mean field treatment of heterogeneous steady state kinetics},

  author       = {Geva, Nadav and Vaissier, Valerie and Shepherd, James and Van Voorhis, Troy},

  abstractNote = {},

  doi          = {10.1016/j.cplett.2017.07.011},

  journal      = {Chemical Physics Letters},

  number       = C,

  volume       = 685,

  place        = {Netherlands},

  year         = {2017},

  month        = {10}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1016/j.cplett.2017.07.011

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 1 work

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Similar Records in DOE PAGES and OSTI.GOV collections:

Mean field treatment of heterogeneous steady state kinetics

Journal Article Geva, Nadav ; Vaissier, Valerie ; Shepherd, James ; ... - Chemical Physics Letters

Not provided.
https://doi.org/10.1016/j.cplett.2017.07.011
Investigation of External Quantum Efficiency Roll-Off in OLEDs Using the Mean-Field Steady-State Kinetic Model

Journal Article McIsaac, Alexandra R. ; Vaissier Welborn, Valerie ; Einzinger, Markus ; ... - Journal of Physical Chemistry. C

Not provided.
https://doi.org/10.1021/acs.jpcc.0c01863
Kinetic, transport, and deactivation rate interactions on steady-state and transient responses in heterogeneous catalysis

Journal Article Lee, J W ; Butt, J B ; Downing, D M - AIChE J.; (United States)

Experiments with benzene hydrogenation over a nickel kieselguhr catalyst poisoned by thiophene, showed that the time required for development of steady-state profiles on startup decreases only moderately as the catalyst is poisoned to approx. 20% of initial activity, but the magnitudes of inter- and intraphase thermal gradients were strongly affected. For severely deactivated catalysts, the approximation that all thermal gradients reside in the boundary layer was not justified. Simulation results from a full distributed parameter model were excellent for steady-state modeling and for transient response of the fresh catalyst; however, they deteriorate somewhat for experiments with highly deactivated catalysts. Evenmore »« less
https://doi.org/10.1002/aic.690240209
Surfkin: A program to solve transient and steady state heterogeneous reaction kinetics

Technical Report COLTRIN, MICHAEL E ; WIXOM, RYAN R ; DANDY, DAVID S

Heterogeneous chemical reactions occurring at a gas/surface interface are fundamental in a variety of important applications, such as combustion, catalysis, chemical vapor deposition and plasma processing. Detailed simulation of these processes may involve complex, coupled fluid flow, heat transfer, gas-phase chemistry, in addition to heterogeneous reaction chemistry. This report documents the Surfkin program, which simulates the kinetics of heterogeneous chemical reactions. The program is designed for use with the Chemkin and Surface Chemkin (heterogeneous chemistry) programs. It calculates time-dependent or steady state surface site fractions and bulk-species production/destruction rates. The surface temperature may be specified as a function of timemore »« less
https://doi.org/10.2172/756049

Full Text Available
Steady-state vs non-steady-state transient kinetic analysis of surface coverages during the oxidative coupling of methane

Journal Article Peil, K P ; Goodwin, Jr, J G ; Marcelin, G - Journal of Catalysis; (United States)

Because of its greater simplicity and lower cost, non-steady-state transient kinetic analysis has been used by a number of workers in the study of methane oxidation. With the non-steady-state technique, the concentration level of one of the reactants is put through a step change and the resulting transients in product and reactant concentrations are obtained. The quantity of surface intermediates detected during this real transient may or may not relate to those existing under steady-state reaction since the surface is experiencing major changes. Examination of reactive surface intermediates under steady-state isotopic transient kinetic analysis. This technique entails an abrupt switchmore »« less
https://doi.org/10.1016/0021-9517(91)90170-9

Similar Records