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Engineering Commons

Open Access. Powered by Scholars. Published by Universities.®

Mechanical Engineering

Purdue University

2013

Diffusion

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Full-Text Articles in Engineering

Kinetic Monte Carlo Simulations, Jingyuan Liang, R. Edwin García, Ding-Wen (Tony) Chung, David Ely Oct 2013

Kinetic Monte Carlo Simulations, Jingyuan Liang, R. Edwin García, Ding-Wen (Tony) Chung, David Ely

The Summer Undergraduate Research Fellowship (SURF) Symposium

Kinetic Monte Carlo (kMC) is a set of scientific libraries designed to deploy kMC simulations intended to simulate the time evolution of some processes occurring in nature. kMC is currently allows the user to intuitively generate single component crystal lattices to simulate, post process, and visualize the kinetic Monte Carlo-based atomistic evolution of materials. kMC provides an interface to the Stochastic Parallel PARticle Kinetic Simulator (SPPARKS) [1] and is specifically designed to simulate individual atomic deposition (condensation) and dissolution (evaporation) events, while simultaneously tracking the surface and bulk crystallographic anisotropic diffusion. The main goal of this project is to create …


Effect Of Exhaust Gas Recirculation And Combustible Oxygen Mass Fraction On Emission Index Of Nox For Counterflow Methane/Air Diffusion Flames, Mugdha S. Sane Jan 2013

Effect Of Exhaust Gas Recirculation And Combustible Oxygen Mass Fraction On Emission Index Of Nox For Counterflow Methane/Air Diffusion Flames, Mugdha S. Sane

Open Access Theses

Exhaust gas recirculation has been proven to be an effective method of reducing emissions of oxides of nitrogen (NOx) from internal combustion engines. The present study validates this effect through flame simulations using detailed chemistry. Counterflow methane/air diffusion flames were simulated in one dimension in physical space using GRI-Mech 3.0 detailed chemistry mechanism, thermal, and transport data. The influence of Exhaust Gas Recirculation (EGR) on the flame structure and NOx emissions was studied by selecting higher than ambient inlet temperature and by varying the composition of the oxidizer stream. The Combustible Oxygen Mass Fraction (COMF), which represents the fraction of …