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Experimental studies of soot particles showed that the intensity ratio of amorphous and graphite layers measured by Raman spectroscopy correlates to soot oxidation reactivities, which is very important for regeneration of the diesel particulate filters and gasoline particulate filters. This physical mechanism is absent in all soot models. In the present paper, a novel two-layer soot model was proposed that considers the amorphous and graphite layers in the soot particles. The soot model considers soot inception, soot surface growth, soot oxidation by O2 and OH, and soot coagulation. It is assumed that amorphous-type soot forms from fullerene. No soot coagulation is considered in the model between the amorphous- and graphitic-types of soot. Benzene is taken as the soot precursor, which is formed from acetylene. The model was implemented into a commercial CFD software CONVERGE using user defined functions. A diesel engine case was simulated.

The thermal efficiency of spark-ignition engines can be enhanced by increasing the rate of exhaust gas recirculation (EGR) such that the low temperature combustion regime could be achieved. However, there is an upper limit on the amount of EGR rate, beyond which flame speed becomes slow and unstable, and local quenching starts to hurt the combustion stability, efficiency, and emission. To resolve this issue, the concept of dedicated EGR has been proposed previously to be an effective way to enhance flame propagation under lean burn condition with even higher levels of EGR with reformate hydrogen and carbon monoxide. In this study, the effects of thermochemical fuel reforming on the reformate composition under rich conditions (1.0 < ϕ < 2.0) have been studied using detailed chemistry for iso-octane, as the representative component for gasoline.

Lithium-ion (Li-ion) batteries and issues related to their thermal management and safety have been attracting extensive research interests. In this work, based on a recent thermal chemistry model, the phenomena of thermal runaway induced by a transient internal heat source are computationally investigated using a three-dimensional (3D) model built in COMSOL Multiphysics 5.3. Incorporating the anisotropic heat conductivity and typical thermal chemical parameters available from literature, temperature evolution subject to both heat transfer from an internal source and the activated internal chemical reactions is simulated in detail. This paper focuses on the critical runaway behavior with a delay time around 10s. Parametric studies are conducted to identify the effects of the heat source intensity, duration, geometry, as well as their critical values required to trigger thermal runaway.

Machine learning methods, such as decision trees and deep neural networks, are becoming increasingly important and useful for data analysis in various scientific fields including dynamics and control, signal processing, pattern recognition, fluid mechanics, and chemical synthesis, etc. For future engine design and performance optimization, there is an urgent need for a robust predictive model which could capture the major combustion properties such as autoignition and flame propagation of multicomponent fuels under a wide range of engine operating conditions, without massive experimental measurement or computational efforts. It will be shown that these long-held limitations and challenges related to complex fuel combustion and engine research could be readily solved by implementing machine learning methods.

Spark plug design is critical for the performance of spark ignited (SI) engines, however, its orientation is frequently not controlled for most of production engines, which has great impacts on ignition and subsequent flame propagation processes. In the present work, a recently developed comprehensive ignition system model--the VTF ignition model, has been employed to investigate the effects of spark plug orientation on ignition and flame kernel growth. Three orientations for the spark plug, including downstream, crossflow, and upstream relative to the flow, have been considered under a typical a high-speed high-load condition in a GDI engine. Electrical circuitry model was validated by comparing the simulation results with measured secondary current and secondary voltage with good agreement.

Flame speed data reported in most literature are acquired in conventional apparatus such as the spherical combustion bomb and counterflow burner, and are limited to atmospheric pressure and ambient or slightly elevated unburnt temperatures. As such, these data bear little relevance to internal combustion engines and gas turbines, which operate under typical pressures of 10-50 bar and unburnt temperature up to 900K or higher. These elevated temperatures and pressures not only modify dominant flame chemistry, but more importantly, they inevitably facilitate pre-ignition reactions and hence can change the upstream thermodynamic and chemical conditions of a regular hot flame leading to modified flame properties. This study focuses on how auto-ignition chemistry affects flame propagation, especially in the negative-temperature coefficient (NTC) regime, where dimethyl ether (DME), n-heptane and iso-octane are chosen for study as typical fuels exhibiting low temperature chemistry (LTC).