Yuan Xuan

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IEE Research Themes
Affiliate Researcher
Titles and Affiliations
Associate Professor, Mechanical Engineering

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Recent Publications

Elucidating the chemical pathways responsible for the sooting tendency of 1 and 2-phenylethanol

Etz, B. D., Fioroni, G. M., Messerly, R. A., Rahimi, M. J., St. John, P. C., Robichaud, D. J., Christensen, E. D., Beekley, B. P., McEnally, C. S., Pfefferle, L. D., Xuan, Y., Vyas, S., Paton, R. S., McCormick, R. L. & Kim, S., 2021, In: Proceedings of the Combustion Institute. 38, 1, p. 1327-1334 8 p.

Research output: Contribution to journalConference articlepeer-review

Pyrolysis of bio-derived dioxolane fuels: A ReaxFF molecular dynamics study

Kwon, H. & Xuan, Y., Dec 15 2021, In: Fuel. 306, 121616.

Research output: Contribution to journalArticlepeer-review

ReaxFF molecular dynamics study on pyrolysis of bicyclic compounds for aviation fuel

Lele, A., Kwon, H., Ganeshan, K., Xuan, Y. & van Duin, A. C. T., Aug 1 2021, In: Fuel. 297, 120724.

Research output: Contribution to journalArticlepeer-review

Effect of ammonia addition on suppressing soot formation in methane co-flow diffusion flames

Montgomery, M. J., Kwon, H., Dreyer, J. A. H., Xuan, Y., McEnally, C. S. & Pfefferle, L. D., Jan 2021, In: Proceedings of the Combustion Institute. 38, 2, p. 2497-2505 9 p.

Research output: Contribution to journalArticlepeer-review

Fourier-physical space coherent structure in flame-vortex interactions relevant to flame-turbulence interactions using a new signal periodization procedure

Paes, P. L. K., Brasseur, J. G., Xuan, Y. & Shah, Y. G., Apr 1 2021, In: AIP Advances. 11, 4, 045006.

Research output: Contribution to journalArticlepeer-review

An a priori analysis of the structure of local subfilter-scale species surrounding flame fronts using direct numerical simulation of turbulent premixed flames

Shah, Y. G., Brasseur, J. G. & Xuan, Y., Apr 1 2021, In: Physics of Fluids. 33, 4, 045122.

Research output: Contribution to journalArticlepeer-review

Numerical simulations of yield-based sooting tendencies of aromatic fuels using ReaxFF molecular dynamics

Kwon, H., Shabnam, S., van Duin, A. C. T. & Xuan, Y., Feb 15 2020, In: Fuel. 262, 116545.

Research output: Contribution to journalArticlepeer-review

Reactive Molecular Dynamics Simulations and Quantum Chemistry Calculations to Investigate Soot-Relevant Reaction Pathways for Hexylamine Isomers

Kwon, H., Etz, B. D., Etz, B. D., Montgomery, M. J., Messerly, R., Shabnam, S., Vyas, S., Van Duin, A. C. T., McEnally, C. S., Pfefferle, L. D., Kim, S. & Xuan, Y., May 28 2020, In: Journal of Physical Chemistry A. 124, 21, p. 4290-4304 15 p.

Research output: Contribution to journalArticlepeer-review

ReaxFF-based molecular dynamics study of bio-derived polycyclic alkanes as potential alternative jet fuels

Kwon, H., Lele, A., Zhu, J., McEnally, C. S., Pfefferle, L. D., Xuan, Y. & van Duin, A. C. T., Nov 1 2020, In: Fuel. 279, 118548.

Research output: Contribution to journalArticlepeer-review