AG Dana, MS Johnson, JW Allen… - … Journal of Chemical …, 2023 - Wiley Online Library
The open‐source statistical mechanics software described here, Arkane–Automated Reaction Kinetics and Network Exploration–facilitates computations of thermodynamic …
For sustainable future mobility and power generation applications, there is a compelling need to develop flex-fuel engines that operate with multiple regional or season-specific …
C Banyon, RS Tranter - The Journal of Physical Chemistry A, 2023 - ACS Publications
The pyrolysis mechanism of 2, 2-dimethylpropan-1-ol (neopentanol) has been investigated at high temperatures (1128–1401K) and high pressures (5 and 15 bar). The experiments …
Ignition delay times of iso-butanol with fuel concentration of 0.5–1.0% were measured behind reflected shock waves. The experiments were conducted in the temperature range of …
S Duan, JR Liu, X Wang, XM Sun, HS Gong, CW Jin… - Molecules, 2022 - mdpi.com
Although ginseng leaf is a good source of health-beneficial phytochemicals, such as polyphenols and ginsenosides, few studies have focused on the variation in compounds …
J Cai, W Yuan, L Ye, Z Cheng, Y Wang, W Dong… - Combustion and …, 2014 - Elsevier
Abstract i-Butanol (iC 4 H 9 OH) pyrolysis has been studied in a flow reactor with synchrotron vacuum ultraviolet photoionization mass spectrometry combined with molecular …
Tri-propylene glycol monomethyl ether (TPGME) is an important oxygenated fuel additive that can be used to reduce soot in diesel engines. However, a validated chemical kinetic …
X Zhang, B Yang, W Yuan, Z Cheng, L Zhang… - Proceedings of the …, 2015 - Elsevier
In order to better understand the high temperature chemistry of large alcohol containing 5 carbon atoms, the pyrolysis of 2-methyl-1-butanol from 750 to 1400 K was investigated in a …
IM Alecu, P Marshall - The Journal of Physical Chemistry A, 2014 - ACS Publications
The multistructural method for torsional anharmonicity (MS-T) is employed to compute anharmonic conformationally averaged partition functions which then serve as the basis for …