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

被引：25

作者：

Gregoire, Claire M. ^{[1
]}

Cooper, Sean P. ^{[1
]}

Khan-Ghauri, Maryam ^{[1
]}

Alturaifi, Sulaiman A. ^{[1
]}

Petersen, Eric L. ^{[1
]}

Mathieu, Olivier ^{[1
]}

机构：

[1] Texas A&M Univ, J Mike Walker Dept Mech Engn 66, College Stn, TX 77843 USA

来源：

COMBUSTION AND FLAME | 2023年 / 249卷

基金：

美国国家科学基金会;

关键词：

Diethyl carbonate; Dimethyl carbonate; Ethyl methyl carbonate; Pyrolysis; CO laser measurements; IGNITION DELAY TIMES; THERMAL-DECOMPOSITION; GAS-PHASE; ELECTROLYTE; MECHANISMS; HISTORIES; METHANE; HYDROCARBONS; PERFORMANCE; PHOSPHATE;

D O I：

10.1016/j.combustflame.2022.112594

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

The pyrolysis of three linear carbonates -dimethyl carbonate (DMC), diethyl carbonate (DEC), and ethyl methyl carbonate (EMC) -was investigated behind reflected shock waves using a CO spectroscopic laser diagnostic. The experiments were carried out using 0.0025 carbonate/0.2 He/0.7975 Ar mixtures with temperatures ranging from 1230 to 2375 K, and near atmospheric pressure. This CO quantification ex-tends the literature database for DEC and EMC and allowed for the development of a new detailed chem-ical kinetics pyrolysis mechanism encompassing all three linear carbonates. The new model was able to reproduce accurately the results for DMC and DEC, the latter being possible after some updates in the ethanol pyrolysis chemistry using recent literature. On the other hand, predicting CO formation for EMC is still problematic due to the poor methanol pyrolysis chemistry displayed by modern detailed kinetics mechanisms.Published by Elsevier Inc. on behalf of The Combustion Institute.

引用

页数：14

共 53 条

[21] Study on oxidation and pyrolysis of carbonate esters using a micro flow reactor with a controlled temperature profile. Part I: Reactivities of dimethyl carbonate, ethyl methyl carbonate and diethyl carbonate [J].

Kanayama, Keisuke ;

Takahashi, Shintaro ;

Morikura, Shota ;

Nakamura, Hisashi ;

Tezuka, Takuya ;

Maruta, Kaoru .

COMBUSTION AND FLAME, 2022, 237

[22] Pyrolysis of ethanol: A shock-tube/TOF-MS and modeling study [J].

Kiecherer, Johannes ;

Baensch, Cornelie ;

Bentz, Tobias ;

Olzmann, Matthias .

PROCEEDINGS OF THE COMBUSTION INSTITUTE, 2015, 35 :465-472

[23] Ternary mixtures of nitrile-functionalized glyme, non-flammable hydrofluoroether and fluoroethylene carbonate as safe electrolytes for lithium-ion batteries [J].

Liu, Yi ;

Fang, Shaohua ;

Shi, Pei ;

Luo, Dong ;

Yang, Li ;

Hirano, Shin-ichi .

JOURNAL OF POWER SOURCES, 2016, 331 :445-451

[24]

Mathieu O., 2023, ACCEPTED PROC COMBUS, V39

[25]

Mathieu O., 2022, APP ENERGY COMBUST S, V11, P100076

[26] Experimental Investigation of the Combustion Properties of an Average Thermal Runaway Gas Mixture from Li-Ion Batteries [J].

Mathieu, Olivier ;

Gregoire, Claire M. ;

Turner, Mattias A. ;

Mohr, Darryl J. ;

Alturaifi, Sulaiman A. ;

Thomas, James C. ;

Petersen, Eric L. .

ENERGY & FUELS, 2022, 36 (06) :3247-3258

[27] Assessment of modern detailed kinetics mechanisms to predict CO formation from methane combustion using shock-tube laser-absorption measurements [J].

Mathieu, Olivier ;

Mulvihill, Clayton R. ;

Petersen, Eric L. .

FUEL, 2019, 236 :1164-1180

[28] Shock-tube water time-histories and ignition delay time measurements for H2S near atmospheric pressure [J].

Mathieu, Olivier ;

Mulvihill, Clayton ;

Petersen, Eric L. .

PROCEEDINGS OF THE COMBUSTION INSTITUTE, 2017, 36 (03) :4019-4027

[29] An experimental and modeling study of diethyl carbonate oxidation [J].

Nakamura, Hisashi ;

Curran, Henry J. ;

Cordoba, Angel Polo ;

Pitz, William J. ;

Dagaut, Philippe ;

Togbe, Casimir ;

Sarathy, S. Mani ;

Mehl, Marco ;

Agudelo, John R. ;

Bustamante, Felipe .

COMBUSTION AND FLAME, 2015, 162 (04) :1395-1405

[30] Theoretical study of the mechanism of thermal decomposition of carbonate esters in the gas phase [J].

Notario, R ;

Quijano, J ;

Sánchez, C ;

Vélez, E .

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2005, 18 (02) :134-141

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