Research output: Contribution to journal › Article › peer-review
Experimental Study and a Short Kinetic Model for High-Temperature Oxidation of Methyl Methacrylate. / Dakshnamurthy, Shanmugasundaram; Knyazkov, Denis A.; Dmitriev, Artem M. et al.
In: Combustion Science and Technology, Vol. 191, No. 10, 03.10.2019, p. 1789-1814.Research output: Contribution to journal › Article › peer-review
}
TY - JOUR
T1 - Experimental Study and a Short Kinetic Model for High-Temperature Oxidation of Methyl Methacrylate
AU - Dakshnamurthy, Shanmugasundaram
AU - Knyazkov, Denis A.
AU - Dmitriev, Artem M.
AU - Korobeinichev, Oleg P.
AU - Nilsson, Elna J.K.
AU - Konnov, Alexander A.
AU - Narayanaswamy, Krithika
PY - 2019/10/3
Y1 - 2019/10/3
N2 - 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.
AB - 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.
KW - kinetics
KW - laminar burning velocity
KW - laminar flat flame
KW - methylmethacrylate
KW - short model
KW - COMBUSTION
KW - SHOCK-TUBE
KW - MECHANISMS
KW - SIMULATION
KW - HEAT-FLUX
KW - POLY(METHYL METHACRYLATE)
KW - PREMIXED FLAMES
KW - ABSTRACTION REACTIONS
KW - ESTERS
KW - BEAM MASS-SPECTROMETRY
UR - http://www.scopus.com/inward/record.url?scp=85057325577&partnerID=8YFLogxK
U2 - 10.1080/00102202.2018.1535492
DO - 10.1080/00102202.2018.1535492
M3 - Article
AN - SCOPUS:85057325577
VL - 191
SP - 1789
EP - 1814
JO - Combustion Science and Technology
JF - Combustion Science and Technology
SN - 0010-2202
IS - 10
ER -
ID: 17577804