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Title: High-resolution methods for preserving the sum of mass fractions: improved χ-scheme and an alternative

When high resolution convection schemes are used for discretizing chemical species mass balance equations, the mass fractions are not guaranteed to add to one. We show that a proposed remedy called χ-scheme (Darwish and Moukalled, Comput.Methods Appl.Mech. Engrg. 192 (2003): 1711) will degrade to a diffusive first-order scheme when a chemical species vanishes from the mixture, for example, because of chemical reactions. We propose an improvement to the χ-scheme to overcome this problem. Furthermore, a computationally efficient alternative scheme is proposed and evaluated with several examples, to quantify the improvements in the accuracy and the computational time.
 [1] ;  [1]
  1. National Energy Technology Lab. (NETL), Morgantown, WV (United States)
Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 1097-0363
Resource Type:
Journal Article
Resource Relation:
Journal Name: International Journal for Numerical Methods in Fluids (Online); Journal Volume: 73; Journal Issue: 8
Research Org:
National Energy Technology Laboratory - In-house Research; National Energy Technology Laboratory (NETL), Pittsburgh, PA, and Morgantown, WV (United States). In-house Research
Sponsoring Org:
USDOE Office of Fossil Energy (FE)
Country of Publication:
United States
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY finite volume; Navier–Stokes; error estimation; explicit; ; CONVECTION; VERIFICATION