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Experimental Study and a Short Kinetic Model for High-Temperature Oxidation of Methyl Methacrylate

Dakshnamurthy, Shanmugasundaram; Knyazkov, Denis A.; Dmitriev, Artem M.; Korobeinichev, Oleg P.; Nilsson, Elna J.K. LU ; Konnov, Alexander A. LU and Narayanaswamy, Krithika (2018) In Combustion Science and Technology
Abstract

Synthetic and natural polymeric esters find applications in transport and construction sectors, where fire safety is an important concern. One polymer that is widely used is poly (methyl methacrylate) (PMMA), which almost completely undergoes thermal decomposition into methyl methacrylate (its monomer) CH2=C(CH3) - C(= O) - O - CH3 (MMA) at ~250–300°C. In order to analyze the high-temperature gas-phase oxidation of PMMA, and thereby predict its fire behavior (such as burning rate, temperature of the material, and heat fluxes) with less computational effort, a compact kinetic model for the oxidation of its primary decomposition product, MMA, is most essential. This is accomplished in the present work by... (More)

Synthetic and natural polymeric esters find applications in transport and construction sectors, where fire safety is an important concern. One polymer that is widely used is poly (methyl methacrylate) (PMMA), which almost completely undergoes thermal decomposition into methyl methacrylate (its monomer) CH2=C(CH3) - C(= O) - O - CH3 (MMA) at ~250–300°C. In order to analyze the high-temperature gas-phase oxidation of PMMA, and thereby predict its fire behavior (such as burning rate, temperature of the material, and heat fluxes) with less computational effort, a compact kinetic model for the oxidation of its primary decomposition product, MMA, is most essential. This is accomplished in the present work by obtaining a reduced mechanism for MMA oxidation from a detailed mechanism from the Lawrence Livermore National Laboratories group. To extend the available data base for model validation and present validation data at atmospheric pressure conditions, for the first time, (i) detailed measurements of species profiles have been performed in stoichiometric laminar flat flames using flame sampling molecular beam mass spectrometry (MBMS) technique and (ii) laminar burning velocities have been obtained using the heat flux method for various unburnt mixture temperatures. Evaluating the model against these data sets point to the need to revise the kinetic model, which is achieved by adopting rate constants of key reactions among analogous molecules from recent literature. The updated compact kinetic model is able to predict the major species in the flat flame as well as the burning velocity of MMA satisfactorily. The final “short MMA mechanism” consists of 88 species and 1084 reactions.

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author
organization
publishing date
type
Contribution to journal
publication status
epub
subject
keywords
kinetics, laminar burning velocity, laminar flat flame, methylmethacrylate, short model
in
Combustion Science and Technology
publisher
Taylor & Francis
external identifiers
  • scopus:85057325577
ISSN
0010-2202
DOI
10.1080/00102202.2018.1535492
language
English
LU publication?
yes
id
7870cac0-90e7-4861-b9a7-2cbf9ff51353
date added to LUP
2018-12-06 10:17:54
date last changed
2018-12-06 10:17:54
@article{7870cac0-90e7-4861-b9a7-2cbf9ff51353,
  abstract     = {<p>Synthetic and natural polymeric esters find applications in transport and construction sectors, where fire safety is an important concern. One polymer that is widely used is poly (methyl methacrylate) (PMMA), which almost completely undergoes thermal decomposition into methyl methacrylate (its monomer) CH<sub>2</sub>=C(CH<sub>3</sub>) - C(= O) - O - CH<sub>3</sub> (MMA) at ~250–300°C. In order to analyze the high-temperature gas-phase oxidation of PMMA, and thereby predict its fire behavior (such as burning rate, temperature of the material, and heat fluxes) with less computational effort, a compact kinetic model for the oxidation of its primary decomposition product, MMA, is most essential. This is accomplished in the present work by obtaining a reduced mechanism for MMA oxidation from a detailed mechanism from the Lawrence Livermore National Laboratories group. To extend the available data base for model validation and present validation data at atmospheric pressure conditions, for the first time, (i) detailed measurements of species profiles have been performed in stoichiometric laminar flat flames using flame sampling molecular beam mass spectrometry (MBMS) technique and (ii) laminar burning velocities have been obtained using the heat flux method for various unburnt mixture temperatures. Evaluating the model against these data sets point to the need to revise the kinetic model, which is achieved by adopting rate constants of key reactions among analogous molecules from recent literature. The updated compact kinetic model is able to predict the major species in the flat flame as well as the burning velocity of MMA satisfactorily. The final “short MMA mechanism” consists of 88 species and 1084 reactions.</p>},
  author       = {Dakshnamurthy, Shanmugasundaram and Knyazkov, Denis A. and Dmitriev, Artem M. and Korobeinichev, Oleg P. and Nilsson, Elna J.K. and Konnov, Alexander A. and Narayanaswamy, Krithika},
  issn         = {0010-2202},
  keyword      = {kinetics,laminar burning velocity,laminar flat flame,methylmethacrylate,short model},
  language     = {eng},
  month        = {11},
  publisher    = {Taylor & Francis},
  series       = {Combustion Science and Technology},
  title        = {Experimental Study and a Short Kinetic Model for High-Temperature Oxidation of Methyl Methacrylate},
  url          = {http://dx.doi.org/10.1080/00102202.2018.1535492},
  year         = {2018},
}