Search Results - "Buras, Zachary J"

Direct Determination of the Simplest Criegee Intermediate (CH2OO) Self Reaction Rate by Buras, Zachary J, Elsamra, Rehab M. I, Green, William H

“…The rate of self-reaction of the simplest Criegee intermediate, CH2OO, is of importance in many current laboratory experiments where CH2OO concentrations are…”
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Direct Kinetic Measurements of Reactions between the Simplest Criegee Intermediate CH2OO and Alkenes by Buras, Zachary J, Elsamra, Rehab M. I, Jalan, Amrit, Middaugh, Joshua E, Green, William H

“…The simplest Criegee Intermediate (CH2OO), a well-known biradical formed in alkene ozonolysis, is known to add across double bonds. Here we report direct…”
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Simulated production of OH, HO2, CH2O, and CO2 during dilute fuel oxidation can predict 1st-stage ignition delays by Buras, Zachary J., Safta, Cosmin, Zádor, Judit, Sheps, Leonid

“…Chemical kinetics simulations are used to explore whether detailed measurements of relevant chemical species during the oxidation of very dilute fuels (less…”
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Direct Measurement of Radical-Catalyzed C6H6 Formation from Acetylene and Validation of Theoretical Rate Coefficients for C2H3 + C2H2 and C4H5 + C2H2 Reactions by Smith, Mica C, Liu, Guozhu, Buras, Zachary J, Chu, Te-Chun, Yang, Jeehyun, Green, William H

“…The addition of vinylic radicals to acetylene is an important step contributing to the formation of polycyclic aromatic hydrocarbons in combustion. The overall…”
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Modeling Study of High Temperature Pyrolysis of Natural Gas by Gudiyella, Soumya, Buras, Zachary J, Chu, Te-Chun, Lengyel, Istvan, Pannala, Sreekanth, Green, William H

“…High temperature pyrolysis (HTP) is a commercial process to convert methane to acetylene. The HTP process consists of two reaction zones, followed by a…”
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Direct Kinetics and Product Measurement of Phenyl Radical + Ethylene by Chu, Te-Chun, Buras, Zachary J, Eyob, Brook, Smith, Mica C, Liu, Mengjie, Green, William H

“…The phenyl + ethylene (C6H5 + C2H4) reaction network was explored experimentally and theoretically to understand the temperature dependence of the reaction…”
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An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation by Han, Kehang, Jamal, Adeel, Grambow, Colin A., Buras, Zachary J., Green, William H.

“…ABSTRACT Automatic kinetic mechanism generation, virtual high‐throughput screening, and automatic transition state search are currently trending applications…”
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Direct Measurement of Radical-Catalyzed C 6 H 6 Formation from Acetylene and Validation of Theoretical Rate Coefficients for C 2 H 3 + C 2 H 2 and C 4 H 5 + C 2 H 2 Reactions by Smith, Mica C, Liu, Guozhu, Buras, Zachary J, Chu, Te-Chun, Yang, Jeehyun, Green, William H

“…The addition of vinylic radicals to acetylene is an important step contributing to the formation of polycyclic aromatic hydrocarbons in combustion. The overall…”
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Temperature- and Pressure-Dependent Kinetics of CH2OO + CH3COCH3 and CH2OO + CH3CHO: Direct Measurements and Theoretical Analysis by Elsamra, Rehab M. I., Jalan, Amrit, Buras, Zachary J., Middaugh, Joshua E., Green, William H.

“…ABSTRACT The rate coefficients of the gas‐phase reactions CH2OO + CH3COCH3 and CH2OO + CH3CHO have been experimentally determined from 298–500 K and 4–50 Torr…”
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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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Direct Kinetic and Atmospheric Modeling Studies of Criegee Intermediate Reactions with Acetone by Chhantyal-Pun, Rabi, Khan, M. Anwar H, Martin, Rebecca, Zachhuber, Nicholas, Buras, Zachary J, Percival, Carl J, Shallcross, Dudley E, Orr-Ewing, Andrew J

“…Mounting evidence suggests that Criegee intermediates are important tropospheric oxidants of both organic and inorganic gases, supplementing the oxidation…”
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Kinetics and Products of Vinyl + 1,3-Butadiene, a Potential Route to Benzene by Buras, Zachary J, Dames, Enoch E, Merchant, Shamel S, Liu, Guozhu, Elsamra, Rehab M. I, Green, William H

“…The reaction between vinyl radical, C2H3, and 1,3-butadiene, 1,3-C4H6, has long been recognized as a potential route to benzene, particularly in 1,3-butadiene…”
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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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Direct Kinetic Measurements of Reactions between the Simplest Criegee Intermediate CH 2 OO and Alkenes by Buras, Zachary J., Elsamra, Rehab M. I., Jalan, Amrit, Middaugh, Joshua E., Green, William H.

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Direct Kinetic Measurements of Reactions between the Simplest Criegee Intermediate CH sub(2)OO and Alkenes by Buras, Zachary J, Elsamra, Rehab MI, Jalan, Amrit, Middaugh, Joshua E, Green, William H

“…The simplest Criegee Intermediate (CH sub(2)OO), a well-known biradical formed in alkene ozonolysis, is known to add across double bonds. Here we report direct…”
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Temperature- and Pressure-Dependent Kinetics of CH 2 OO + CH 3 COCH 3 and CH 2 OO + CH 3 CHO: Direct Measurements and Theoretical Analysis: TEMPERATURE- AND PRESSURE-DEPENDENT KINETICS OF CH 2 OO + CH 3 COCH 3 AND CH 2 OO + CH 3 CHO by Elsamra, Rehab M. I., Jalan, Amrit, Buras, Zachary J., Middaugh, Joshua E., Green, William H.

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