Assessment of subgrid scale mixing models used in LES at high pressures

Abstract

Molecular mixing models for the conditional scalar diffusion (CSD) term in the filtered mass density function (FMDF) transport equation used in Large Eddy Simulation (LES-FMDF) approach are evaluated against direct numerical simulation (DNS) of spatially evolving jets. A database of DNS of turbulent mixing slot jets of $C_{7}H_{16} / O_2$ and $C_{7}H_{16} / Air$ is developed. The formulation includes the compressible form of the governing equations, a generalized multicomponent diffusion model, a cubic real gas equation of state and realistic property models. Simulations are conducted over a wide range of initial pressures ($1 atm < P_0 < 100 atm$) and jet width based Reynolds numbers of 850 and 1300. FMDF of mixture fraction at various filter widths are obtained from the simulation at several spatial locations within the flow. The CSD term in the exact transport equation of FMDF is calculated from the DNS. An \textit{a priori} analysis of Interaction by Exchange of Mean (IEM), Modified Curl (MC) and Mapping Closure (MAPPING) mixing models for CSD is conducted. At high pressures, significant deviations are observed between the CSD measured from the DNS and those predicted by the models. The source of the deviations is determined to be the mixing frequency used in the models. The significance of the mixing frequency and its variation with change in pressure and diffusion models is studied. The primary objective of this work is to assess the applicability of aforementioned mixing models to flows at large pressures and determine the causes for deviation in prediction.