Surfkin: A program to solve transient and steady state heterogeneous reaction kinetics

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Description

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 time ... continued below

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49 p.

Creation Information

COLTRIN,MICHAEL E.; WIXOM,RYAN R. & DANDY,DAVID S. May 1, 2000.

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This report is part of the collection entitled: Office of Scientific & Technical Information Technical Reports and was provided by UNT Libraries Government Documents Department to Digital Library, a digital repository hosted by the UNT Libraries. It has been viewed 23 times . More information about this report can be viewed below.

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  • Sandia National Laboratories
    Publisher Info: Sandia National Labs., Albuquerque, NM, and Livermore, CA (United States)
    Place of Publication: Albuquerque, New Mexico

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Description

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 time to simulate a temperature-programmed desorption experiment, for example. This report serves as a user's manual for the program, explaining the required input and format of the output. Two detailed example problems are included to further illustrate the use of this program.

Physical Description

49 p.

Notes

OSTI as DE00756049

Medium: P; Size: 49 pages

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  • Other Information: PBD: 1 May 2000

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  • Report No.: SAND2000-1202
  • Grant Number: AC04-94AL85000
  • DOI: 10.2172/756049 | External Link
  • Office of Scientific & Technical Information Report Number: 756049
  • Archival Resource Key: ark:/67531/metadc711502

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Creation Date

  • May 1, 2000

Added to The UNT Digital Library

  • Sept. 12, 2015, 6:31 a.m.

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  • April 12, 2017, 7:15 p.m.

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COLTRIN,MICHAEL E.; WIXOM,RYAN R. & DANDY,DAVID S. Surfkin: A program to solve transient and steady state heterogeneous reaction kinetics, report, May 1, 2000; Albuquerque, New Mexico. (digital.library.unt.edu/ark:/67531/metadc711502/: accessed May 25, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.