Combustion chemistry in the twenty-first century: Develo** theory-informed chemical kinetics models

JA Miller, R Sivaramakrishnan, Y Tao… - Progress in Energy and …, 2021 - Elsevier
Over the last 20 to 25 years theoretical chemistry (particularly theoretical chemical kinetics)
has played an increasingly important role in develo** chemical kinetics models for …

Surface processes on interstellar amorphous solid water: Adsorption, diffusion, tunneling reactions, and nuclear-spin conversion

T Hama, N Watanabe - Chemical reviews, 2013 - ACS Publications
Since we intend to review experimental and theoretical studies of physicochemical
processes occurring on cosmic dust grains in very cold regions in space, we start with a brief …

[HTML][HTML] Understanding the antagonistic effect of methanol as a component in surrogate fuel models: A case study of methanol/n-heptane mixtures

Y Wu, S Panigrahy, AB Sahu, C Bariki… - Combustion and …, 2021 - Elsevier
Methanol is a widely used engine fuel, blend component, and additive. However, no
systematic auto-ignition data or laminar flame speed measurements are available for kinetic …

An experimental and detailed chemical kinetic modeling study of hydrogen and syngas mixture oxidation at elevated pressures

A Kéromnès, WK Metcalfe, KA Heufer, N Donohoe… - Combustion and …, 2013 - Elsevier
The oxidation of syngas mixtures was investigated experimentally and simulated with an
updated chemical kinetic model. Ignition delay times for H2/CO/O2/N2/Ar mixtures have …

Comprehensive H2/O2 kinetic model for high‐pressure combustion

MP Burke, M Chaos, Y Ju, FL Dryer… - … Journal of Chemical …, 2012 - Wiley Online Library
An updated H2/O2 kinetic model based on that of Li et al.(Int J Chem Kinet 36, 2004, 566–
575) is presented and tested against a wide range of combustion targets. The primary …

From theoretical reaction dynamics to chemical modeling of combustion

SJ Klippenstein - Proceedings of the Combustion Institute, 2017 - Elsevier
The chemical modeling of combustion treats the chemical conversion of hundreds of species
through thousands of reactions. Recent advances in theoretical methodologies and …

The role of NNH in NO formation and control

SJ Klippenstein, LB Harding, P Glarborg… - Combustion and Flame, 2011 - Elsevier
One of the remaining issues in our understanding of nitrogen chemistry in combustion is the
chemistry of NNH. This species is known as a key intermediate in Thermal DeNOx, where …

An improved H2/O2 mechanism based on recent shock tube/laser absorption measurements

Z Hong, DF Davidson, RK Hanson - Combustion and Flame, 2011 - Elsevier
An updated H2/O2 reaction mechanism is presented that incorporates recent reaction rate
determinations in shock tubes from our laboratory. These experiments used UV and IR laser …

[หนังสือ][B] Synthesis gas combustion: fundamentals and applications

T Lieuwen, V Yang, R Yetter - 2009 - taylorfrancis.com
Coal, still used to generate more than half of the electric power in the US, will likely be part of
any future global energy plan. But this finite resource is also responsible for 80 percent of …

Ephemeral collision complexes mediate chemically termolecular transformations that affect system chemistry

MP Burke, SJ Klippenstein - Nature chemistry, 2017 - nature.com
Termolecular association reactions involve ephemeral collision complexes—formed from
the collision of two molecules—that collide with a third and chemically inert 'bath gas' …