FIDAP capabilities for solving problems with stiff chemistry Metadata

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  • Main Title FIDAP capabilities for solving problems with stiff chemistry


  • Author: Torczynski, J.R.
    Creator Type: Personal
    Creator Info: Sandia National Labs., Albuquerque, NM (United States). Energetic and Multiphase Processes Dept.
  • Author: Baer, T.A.
    Creator Type: Personal
    Creator Info: Gram, Inc., Albuquerque, NM (United States)


  • Sponsor: United States. Department of Energy.
    Contributor Type: Organization
    Contributor Info: USDOE, Washington, DC (United States)


  • Name: Sandia National Laboratories
    Place of Publication: Albuquerque, New Mexico
    Additional Info: Sandia National Labs., Albuquerque, NM (United States)


  • Creation: 1996-09-01


  • English


  • Content Description: In support of the Motorola CRADA, the capabilities of the computational fluid dynamics code FIDAP (Fluid Dynamics International) for simulating problems involving fluid flow, heat transport, and chemical reactions have been assessed and enhanced as needed for semiconductor-processing applications (e.g. chemical vapor deposition). A novel method of treating surface chemical species that uses only pre-existing FIDAP commands is described and illustrated with test problems. A full-Jacobian treatment of the chemical reaction rate expressions during formation of the stiffness matrix has been implemented in FIDAP for both the Arrhenius-parameter and user-subroutine methods of specifying chemical reactions, where the Jacobian terms can be calculated analytically or numerically. This formulation is needed to obtain convergence when reaction rates become large compared to transport rates (stiff chemistry). Several test problems are analyzed, and in all cases this approach yields good convergence behavior, even for extremely stiff fluid-phase and surface reactions. A stiff segregated algorithm has been developed and implemented in FIDAP. Analysis of test problems indicates that this algorithm yields improved convergence behavior compared with the original segregated algorithm. This improved behavior enables segregated techniques to be applied to problems with stiff chemistry, as required for large three-dimensional multi-species problems.
  • Physical Description: 33 p.


  • Keyword: Chemical Reaction Kinetics
  • Keyword: Chemical Coating
  • Keyword: Fluid Mechanics
  • STI Subject Categories: 36 Materials Science
  • STI Subject Categories: 99 Mathematics, Computers, Information Science, Management, Law, Miscellaneous
  • Keyword: Evaluation
  • Keyword: F Codes
  • Keyword: Theoretical Data
  • Keyword: Semiconductor Materials
  • Keyword: Computerized Simulation


  • Other Information: PBD: Sep 1996


  • Name: Office of Scientific & Technical Information Technical Reports
    Code: OSTI


  • Name: UNT Libraries Government Documents Department
    Code: UNTGD

Resource Type

  • Report


  • Text


  • Other: DE96014898
  • Report No.: SAND--96-2148
  • Grant Number: AC04-94AL85000
  • DOI: 10.2172/383631
  • Office of Scientific & Technical Information Report Number: 383631
  • Archival Resource Key: ark:/67531/metadc686904


  • Display Note: OSTI as DE96014898