Computational combustion

Abstract

Progress in the field of computational combustion over the past 50 years is reviewed. Particular attention is given to those classes of models that are common to most system modeling efforts, including fluid dynamics, chemical kinetics, liquid sprays, and turbulent flame models. The developments in combustion modeling are placed into the time-dependent context of the accompanying exponential growth in computer capabilities and Moore's Law. Superimposed on this steady growth, the occasional sudden advances in modeling capabilities are identified and their impacts are discussed. Integration of submodels into system models for spark ignition, diesel and homogeneous charge, compression ignition engines, surface and catalytic combustion, pulse combustion, and detonations are described. Finally, the current state of combustion modeling is illustrated by descriptions of a very large jet lifted 3D turbulent hydrogen flame with direct numerical simulation and 3D large eddy simulations of practical gas burner combustion devices.

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

“…[1][2][3][4][5][6][7][8][9] The combustion reaction is initiated by thermal decomposition and abstraction of hydrogen atoms from smaller hydrocarbon molecules resulting in the formation of radicals. [1][2][3]6,8,9 These radicals can then react to form smaller olefins and partially oxidized hydrocarbon species.…”

Quantification of OH and HO 2 radicals during the low-temperature oxidation of hydrocarbons by Fluorescence Assay by Gas Expansion technique

“…In this work, we present the coupling of an optical technique named Fluorescence Assay by Gas Expansion (FAGE), initially designed for the measurement of absolute concentrations of •OH and •HO 2 radicals in the atmosphere (14), to a combustion device called a jet-stirred reactor (JSR), with the goal of quantifying both radicals under reaction conditions similar to those found before development of autoignition (2). A JSR allows studying gas-phase reactions at temperatures up to 1,000 K without external radical production.…”

Engine LES with Fuel-Spray Modeling

“…As pointed out by Westbrook et al (2005), the numerical simulation of engines before mid-1970s was a little explored subject of research, mostly because of the lack of computer resources. The ability of computers in resolving practical problems as the ones related to incylinder flows and combustion can be measured by Moore's law, which states that the number of transistors (or the number of floating operations per seconds -flops) in a dense integrated circuit doubles approximately every two years.…”

“…The idea was reproduced in Europe, where exceptional results were also achieved. (WESTBROOK et al, 2005). …”