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| Title | Date | Subject | Description | ||
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A fully integrated Kinetic Monte Carlo/Molecular Dynamics approach for the simulation of soot precursor growth | 2002 | Polycyclic aromatic hydrocarbon polymerization; Soot; KMC/MD; Kinetic Monte Carlo/Molecular Dynamics; Particle growth; Atomic-scale structure; Molecular Transformations; KMC; MD; Simulation; Kinetic mechanism | The emphasis in this paper is on presenting a new methodology, together with some illustrative applications, for the study of polycyclic aromatic hydrocarbon polymerization leading to soot, widely recognized as a very important and challenging combustion problem. The new code, named fully integrated... |
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Clean coal program research activities: Final report: Reporting period 07/01/2006-05/31/2009 | 2010-05 | Environment; Emissions; NOx; SOx; Mercury emission; CO2 emissions; Utah Clean Coal Program; Carbon capture and sequestration; CCS; Green field plants; Simulation; Mergury control; Oxycoal combustion; Gasification; Sequestration; Chemical looping combustion; CLC; Materials investigations; NETL; Coal ... | Although remarkable progress has been made in developing technologies for the clean and efficient utilization of coal, the biggest challenge in the utilization of coal is still the protection of the environment. Specifically, electric utilities face increasingly stringent restriction on the emission... |
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Role of simulation in carbon management | 2013-05-07 | ICSE; Unconventional fuels; Carbon; CCS; Simulation | Presentation given at the University of Utah Unconventional Fuels Conference, Salt Lake City, Utah, May 7, 2013. |
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