Search Results - "Gao, Connie W."

Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms by Gao, Connie W., Allen, Joshua W., Green, William H., West, Richard H.

“…Reaction Mechanism Generator (RMG) constructs kinetic models composed of elementary chemical reaction steps using a general understanding of how molecules…”
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Uncertainty analysis of correlated parameters in automated reaction mechanism generation by Gao, Connie W., Liu, Mengjie, Green, William H.

“…Uncertainty analysis is a useful tool for inspecting and improving detailed kinetic mechanisms because it can identify the greatest sources of model output…”
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A detailed combined experimental and theoretical study on dimethyl ether/propane blended oxidation by Dames, Enoch E., Rosen, Andrew S., Weber, Bryan W., Gao, Connie W., Sung, Chih-Jen, Green, William H.

“…In this paper, a binary fuel model for dimethyl ether (DME) and propane is developed, with a focus on engine-relevant conditions (10–50atm and 550–2000K). New…”
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JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation by Gao, Connie W., Vandeputte, Aäron G., Yee, Nathan W., Green, William H., Bonomi, Robin E., Magoon, Gregory R., Wong, Hsi-Wu, Oluwole, Oluwayemisi O., Lewis, David K., Vandewiele, Nick M., Van Geem, Kevin M.

“…This work presents shock tube experiments and kinetic modeling efforts on the pyrolysis and combustion of JP-10. The experiments were performed at 6–8atm using…”
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Scalability strategies for automated reaction mechanism generation by Jocher, Agnes, Vandewiele, Nick M., Han, Kehang, Liu, Mengjie, Gao, Connie W., Gillis, Ryan J., Green, William H.

“…•Parallel computing for reaction generation and chemical data computation allows for new opportunities in detailed modeling of diverse real-world…”
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Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software by Dana, Alon Grinberg, Johnson, Matthew S., Allen, Joshua W., Sharma, Sandeep, Raman, Sumathy, Liu, Mengjie, Gao, Connie W., Grambow, Colin A., Goldman, Mark J., Ranasinghe, Duminda S., Gillis, Ryan J., Payne, A. Mark, Li, Yi‐Pei, Dong, Xiaorui, Spiekermann, Kevin A., Wu, Haoyang, Dames, Enoch E., Buras, Zachary J., Vandewiele, Nick M., Yee, Nathan W., Merchant, Shamel S., Buesser, Beat, Class, Caleb A., Goldsmith, Franklin, West, Richard H., Green, William H.

“…The open‐source statistical mechanics software described here, Arkane–Automated Reaction Kinetics and Network Exploration–facilitates computations of…”
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A coordinated investigation of the combustion chemistry of diisopropyl ketone, a prototype for biofuels produced by endophytic fungi by Allen, Joshua W., Scheer, Adam M., Gao, Connie W., Merchant, Shamel S., Vasu, Subith S., Welz, Oliver, Savee, John D., Osborn, David L., Lee, Changyoul, Vranckx, Stijn, Wang, Zhandong, Qi, Fei, Fernandes, Ravi X., Green, William H., Hadi, Masood Z., Taatjes, Craig A.

“…Several classes of endophytic fungi have been recently identified that convert cellulosic biomass to a range of ketones and other oxygenated molecules, which…”
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Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software by Dana, Alon Grinberg, Johnson, Matthew S., Allen, Joshua W., Sharma, Sandeep, Raman, Sumathy, Liu, Mengjie, Gao, Connie W., Grambow, Colin A., Goldman, Mark J., Ranasinghe, Duminda S., Gillis, Ryan J., Payne, A. Mark, Li, Yi‐Pei, Dong, Xiaorui, Spiekermann, Kevin A., Wu, Haoyang, Dames, Enoch E., Buras, Zachary J., Vandewiele, Nick M., Yee, Nathan W., Merchant, Shamel S., Buesser, Beat, Class, Caleb A., Goldsmith, Franklin, West, Richard H., Green, William H.

“…Abstract The open‐source statistical mechanics software described here, Arkane–Automated Reaction Kinetics and Network Exploration–facilitates computations of…”
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JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation by Gao, Connie W., Vandeputte, Aäron G., Yee, Nathan W., Green, William H., Bonomi, Robin E., Magoon, Gregory R., Wong, Hsi-Wu, Oluwole, Oluwayemisi O., Lewis, David K., Vandewiele, Nick M., Van Geem, Kevin M.

“…Our research presents shock tube experiments and kinetic modeling efforts on the pyrolysis and combustion of JP-10. The experiments were performed at 6–8 atm…”
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A coordinated investigation of the combustion chemistry of diisopropyl ketone, a prototype for biofuels produced by endophytic fungi: Special Issue on Alternative Fuels by ALLEN, Joshua W, SCHEER, Adam M, ZHANDONG WANG, FEI QI, FERNANDES, Ravi X, GREEN, William H, HADI, Masood Z, TAATJES, Craig A, GAO, Connie W, MERCHANT, Shamel S, VASU, Subith S, WELZ, Oliver, SAVEE, John D, OSBORN, David L, CHANGYOUL LEE, VRANCKX, Stijn

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