Journal ArticleDOI
A comprehensive chemical kinetic combustion model for the four butanol isomers
S. Mani Sarathy,Stijn Vranckx,Kenji Yasunaga,Marco Mehl,Patrick Oßwald,Wayne K. Metcalfe,Charles K. Westbrook,William J. Pitz,Katharina Kohse-Höinghaus,Ravi X. Fernandes,Henry J. Curran +10 more
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TLDR
In this article, a comprehensive chemical kinetic model for all the four isomers of butanol (e.g., 1-, 2-, iso- and tert-butanol) is presented.About:
This article is published in Combustion and Flame.The article was published on 2012-06-01. It has received 489 citations till now. The article focuses on the topics: Butanol & Reaction rate.read more
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A Hierarchical and Comparative Kinetic Modeling Study of C1 − C2 Hydrocarbon and Oxygenated Fuels
TL;DR: In this paper, a detailed chemical kinetic mechanism has been developed to describe the oxidation of small hydrocarbon and oxygenated hydrocarbon species, such as formaldehyde, methanol, acetaldehyde, and ethanol.
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Alcohol combustion chemistry
TL;DR: A detailed overview of recent results on alcohol combustion can be found in this paper, with a particular emphasis on butanols and other linear and branched members of the alcohol family, from methanol to hexanols.
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Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach.
Raghunathan Ramakrishnan,Pavlo O. Dral,Pavlo O. Dral,Matthias Rupp,O. Anatole von Lilienfeld +4 more
TL;DR: The transferability of the approach is demonstrated, using semiempirical quantum chemistry and machine learning models trained on 1 and 10% of 134k organic molecules, to reproduce enthalpies of all remaining molecules at density functional theory level of accuracy.
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Use of higher alcohol biofuels in diesel engines: A review
B. Rajesh Kumar,S. Saravanan +1 more
TL;DR: In this paper, the effects of using higher alcohols ranging from 3-carbon propanol to 20-carbon phytol on combustion, performance and emission characteristics of a wide range of diesel engines under various test conditions.
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Advances and challenges in laminar flame experiments and implications for combustion chemistry
TL;DR: The state of the art and further challenges of combustion chemistry research in laminar flames are reviewed in this paper, where various methods considered in this review are the flat, low-pressure, burner-stabilized premixed flame for chemical speciation studies, and the stagnation, spherically expanding, and burner stabilised flames for determining the global flame properties.
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Production of liquid biofuels from renewable resources
TL;DR: An up-to-date review of the literature available on the subject of liquid bio-fuels can be found in this article, which includes information based on the research conducted globally by scientists according to their local socio-cultural and economic situations.
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A Comprehensive Modeling Study of n-Heptane Oxidation
TL;DR: In this article, a detailed chemical kinetic mechanism has been developed and used to study the oxidation of n-heptane in flow reactors, shock tubes, and rapid compression machines, where the initial pressure ranged from 1-42 atm, the temperature from 550-1700 K, the equivalence ratio from 0.3-1.5, and nitrogen-argon dilution from 70-99%.
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A Comprehensive Modeling Study of iso-Octane Oxidation
TL;DR: In this paper, a detailed chemical kinetic mechanism has been developed and used to study the oxidation of iso-octane in a jet-stirred reactor, flow reactors, shock tubes and in a motored engine.
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A comprehensive modeling study of hydrogen oxidation
TL;DR: A detailed kinetic mechanism has been developed to simulate the combustion of H2/O2 mixtures, over a wide range of temperatures, pressures, and equivalence ratios as discussed by the authors.