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

Journal Article · Wed Nov 20 00:00:00 EST 2013 · International Journal for Numerical Methods in Fluids (Online)

DOI:https://doi.org/10.1002/fld.3821· OSTI ID:1124614

Syamial, Madhava ^[1]; Benyahia, Sofiane ^[1]

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1. National Energy Technology Lab. (NETL), Morgantown, WV (United States)

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.

• Research Organization: National Energy Technology Lab. (NETL), Pittsburgh, PA, and Morgantown, WV (United States). In-house Research
• Sponsoring Organization: USDOE Office of Fossil Energy (FE)
• OSTI ID: 1124614
• Report Number(s): NETL-PUB-261
• Journal Information: International Journal for Numerical Methods in Fluids (Online), Vol. 73, Issue 8; ISSN 1097-0363
• Publisher: Wiley
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
finite volume
Navier–Stokes
error estimation
explicit
CONVECTION
VERIFICATION