[HTML][HTML] Impact of fuel molecular structure on auto-ignition behavior–Design rules for future high performance gasolines

MD Boot, M Tian, EJM Hensen, SM Sarathy - Progress in Energy and …, 2017 - Elsevier
At a first glance, ethanol, toluene and methyl tert-butyl ether look nothing alike with respect
to their molecular structures. Nevertheless, all share a similarly high octane number. A …

Influence of functional groups on low-temperature combustion chemistry of biofuels

B Rotavera, CA Taatjes - Progress in Energy and Combustion Science, 2021 - Elsevier
Ongoing progress in synthetic biology, metabolic engineering, and catalysis continues to
produce a diverse array of advanced biofuels with complex molecular structure and …

[HTML][HTML] Optimized chemical mechanism for combustion of gasoline surrogate fuels

L Cai, H Pitsch - Combustion and flame, 2015 - Elsevier
Since real petroleum fuels are composed of a huge variety of hydrocarbon components,
surrogate mixtures of various hydrocarbon fuels are typically employed in computational …

Detailed kinetic modeling of dimethoxymethane. Part II: Experimental and theoretical study of the kinetics and reaction mechanism

S Jacobs, M Döntgen, ABS Alquaity, WA Kopp… - Combustion and …, 2019 - Elsevier
In this study (Part II), the oxidation of dimethoxymethane (DMM) is investigated and a
detailed chemical reaction model developed for a comprehensive description of both high …

Progress in detailed kinetic modeling of the combustion of oxygenated components of biofuels

LS Tran, B Sirjean, PA Glaude, R Fournet… - Energy, 2012 - Elsevier
Due to growing environmental concerns and diminishing petroleum reserves, a wide range
of oxygenated species has been proposed as possible substitutes to fossil fuels: alcohols …

Pyrolysis study of dimethyl carbonate, diethyl carbonate, and ethyl methyl carbonate using shock-tube spectroscopic CO measurements and chemical kinetics …

CM Grégoire, SP Cooper, M Khan-Ghauri… - Combustion and …, 2023 - Elsevier
The pyrolysis of three linear carbonates-dimethyl carbonate (DMC), diethyl carbonate
(DEC), and ethyl methyl carbonate (EMC)-was investigated behind reflected shock waves …

Modeling HCCI combustion of biofuels: A review

NP Komninos, CD Rakopoulos - Renewable and Sustainable Energy …, 2012 - Elsevier
The ever increasing energy demands coupled with the limited availability of fossil fuels and
the detrimental environmental effects resulting from their use, has guided research toward …

Mechanism optimization based on reaction rate rules

L Cai, H Pitsch - Combustion and flame, 2014 - Elsevier
Accurate chemistry models form the backbone of detailed computational fluid dynamics
(CFD) tools used for simulating complex combustion devices. Combustion chemistry is often …

Using machine learning with target-specific feature sets for structure-property relationship modeling of octane numbers and octane sensitivity

F vom Lehn, B Brosius, R Broda, L Cai, H Pitsch - Fuel, 2020 - Elsevier
Measures for fuel auto-ignition behavior in form of research octane number (RON), motor
octane number (MON), and octane sensitivity (OS) are heavily used for evaluation of fuel …

A mini-review on the advances in the kinetic understanding of the combustion of linear and cyclic oxymethylene ethers

Y Fenard, G Vanhove - Energy & Fuels, 2021 - ACS Publications
Oxymethylene ethers are valuable candidate e-fuels and, therefore, represent an important
asset in the current energy transition. As such, the interest into predicting their combustion …