Numerical simulation of laminar reaction flows

Tarhan, Tanıl
Novel sequential and parallel computational fluid dynamic (CFD) codes based on method of lines (MOL) approach were developed for the numerical simulation of multi-component reacting flows using detailed transport and thermodynamic models. Both codes were applied to the prediction of a confined axisymmetric laminar co-flowing methane-air diffusion flame for which experimental data were available in the literature. Flame-sheet model for infinite-rate chemistry and one-, two-, and five- and ten-step reduced finite-rate reaction mechanisms were employed for methane-air combustion sub-model. A second-order high-resolution total variation diminishing (TVD) scheme based on Lagrange interpolation polynomial was proposed in order to alleviate spurious oscillations encountered in time evolution of flame propagation. Steady-state velocity, temperature and species profiles obtained by using infinite- and finite-rate chemistry models were validated against experimental data and other numerical solutions. They were found to be in reasonably good agreement with measurements and numerical results. The proposed difference scheme produced accurate results without spurious oscillations and numerical diffusion encountered in the classical schemes and hence was found to be a successful scheme applicable to strongly convective flow problems with non-uniform grid resolution. The code was also found to be an efficient tool for the prediction and understanding of transient combustion systems. This study constitutes the initial steps in the development of an efficient numerical scheme for direct numerical simulation (DNS) of unsteady, turbulent, multi-dimensional combustion with complex chemistry.


Numerical simulation of radiating flows
Karaismail, Ertan; Selçuk, Nevin; Department of Chemical Engineering (2005)
Predictive accuracy of the previously developed coupled code for the solution of the time-dependent Navier-Stokes equations in conjunction with the radiative transfer equation was first assessed by applying it to the prediction of thermally radiating, hydrodynamically developed laminar pipe flow for which the numerical solution had been reported in the literature. The effect of radiation on flow and temperature fields was demonstrated for different values of conduction to radiation ratio. It was found that ...
The method of lines solution of discrete ordinates method for Nongray media experimental
Çayan, Fatma Nihan; Selçuk, Nevin; Department of Chemical Engineering (2006)
A radiation code based on method of lines (MOL) solution of discrete ordinates method (DOM) for the prediction of radiative heat transfer in nongray absorbing-emitting media was developed by incorporation of two different gas spectral radiative property models, namely wide band correlated-k (WBCK) and spectral line-based weighted sum of gray gases (SLW) models. Predictive accuracy and computational efficiency of the developed code were assessed by applying it to the predictions of source term distributions ...
Mathematical modeling of fluidized bed combustors with radiation model
Alagöz, Düriye Ece; Selçuk, Nevin; Department of Chemical Engineering (2006)
Simultaneous solution of the conservation equations for energy and chemical species in conjunction with radiative transfer equation was carried out by coupling a previously developed and tested system model of fluidized bed combustion (FBC) to an existing radiation model. The predictive accuracy of the coupled code was assessed by applying it to 0.3 MWt METU Atmospheric Bubbling Fluidized Bed Combustor (ABFBC) Test Rig burning lignite in its own ash and comparing its predictions with the measured temperatur...
Catalytic partial oxidation of propylene on metal surfaces by means of quantum chemical methods
Kızılkaya, Ali Can; Önal, Işık; Department of Chemical Engineering (2010)
Direct, gas phase propylene epoxidation reactions are carried out on model slabs representing Ru-Cu(111) bimetallic and Cu(111) metallic catalyst surfaces with periodic Density Functional Theory (DFT) calculations. Ru-Cu(111) surface is modelled as a Cu(111) monolayer totally covering the surface of Ru(0001) surface underneath. The catalytic activity is evaluated following the generally accepted oxametallacycle mechanism. It is shown that the Ru-Cu(111) surface has a lower energy barrier (0.48 eV) for the s...
An empirical method for the second viral coefficients of non-standard fluids
Kis, Konrad; Orbey, Hasan (Elsevier BV, 1989-9)
A new empirical method is proposed for the extension of Pitzer-Curl type correlations of the second virial coefficient to non-standard fluids as define
Citation Formats
T. Tarhan, “Numerical simulation of laminar reaction flows,” Ph.D. - Doctoral Program, Middle East Technical University, 2004.