Litcius/Paper detail

A Mini-Review on the Advances in the Kinetic Understanding of the Combustion of Linear and Cyclic Oxymethylene Ethers

Yann Fenard, Guillaume Vanhove

2021Energy & Fuels40 citationsDOI

Abstract

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 properties has grown significantly over the past decade. A detailed review of the existing kinetic studies of their combustion is presented, highlighting that the major part of the fundamental studies has been dedicated to dimethoxymethane (or OME1). This molecule has served as a model molecule to elaborate rate rules toward predictive models of longer linear or cyclic oligomers, and detailed analysis of the existing kinetic models and their performance permits elaborating recommendations on the reaction classes to include any existing rate constant data. The current state of the art suggests that additional work is needed on precise determination of rate constants for hydrogen atom abstractions, and on experimental and theoretical studies of the longer linear, branched, and cyclic oligomers.

Topics & Concepts

DimethoxymethaneCombustionReaction rate constantKinetic energyChemistryThermodynamicsTransition state theoryWork (physics)MoleculeConstant (computer programming)Computational chemistryBiochemical engineeringPhysical chemistryKineticsComputer scienceOrganic chemistryPhysicsCatalysisProgramming languageEngineeringQuantum mechanicsAdvanced Combustion Engine TechnologiesChemical Thermodynamics and Molecular StructureThermal and Kinetic Analysis