+ Site Statistics
+ Search Articles
+ Subscribe to Site Feeds
Most Shared
PDF Full Text
+ PDF Full Text
Request PDF Full Text
+ Follow Us
Follow on Facebook
Follow on Twitter
Follow on LinkedIn
+ Translate
+ Recently Requested

Modeling of the oxidation of methyl esters-Validation for methyl hexanoate, methyl heptanoate, and methyl decanoate in a jet-stirred reactor

Modeling of the oxidation of methyl esters-Validation for methyl hexanoate, methyl heptanoate, and methyl decanoate in a jet-stirred reactor

Combustion and Flame 157(11): 2035-2050

The modeling of the oxidation of methyl esters was investigated and the specific chemistry, which is due to the presence of the ester group in this class of molecules, is described. New reactions and rate parameters were defined and included in the software EXGAS for the automatic generation of kinetic mechanisms. Models generated with EXGAS were successfully validated against data from the literature (oxidation of methyl hexanoate and methyl heptanoate in a jet-stirred reactor) and a new set of experimental results for methyl decanoate. The oxidation of this last species was investigated in a jet-stirred reactor at temperatures from 500 to 1100 K, including the negative temperature coefficient region, under stoichiometric conditions, at a pressure of 1.06 bar and for a residence time of 1.5 s: more than 30 reaction products, including olefins, unsaturated esters, and cyclic ethers, were quantified and successfully simulated. Flow rate analysis showed that reactions pathways for the oxidation of methyl esters in the low-temperature range are similar to that of alkanes.

(PDF emailed within 0-6 h: $19.90)

Accession: 054414704

Download citation: RISBibTeXText

PMID: 23710076

DOI: 10.1016/j.combustflame.2010.03.012

Related references

Detailed Kinetic Mechanism for the Oxidation of Vegetable Oil Methyl Esters: New Evidence from Methyl Heptanoate. Energy & Fuels 23(9): 4254-4268, 2009

Synthesis of methyl esters of uronic acids 2. synthesis of 2 3 di o methyl esters 2 4 di o methyl esters 3 4 di o methyl esters and 2 3 4 tri o methyl esters of methyl methyl alpha d galacto pyranoside uronate. Khimiya Prirodnykh Soedinenii (3): 283-285, 1982

High-temperature measurements of the reactions of OH with small methyl esters: methyl formate, methyl acetate, methyl propanoate, and methyl butanoate. Journal of Physical Chemistry. a 116(50): 12229-12241, 2013

Synthesis of methyl esters of uronic acids 1. synthesis of methyl methyl alpha d galacto pyranoside uronate and its 2 o methyl 3 o methyl and 4 o methyl esters. Khimiya Prirodnykh Soedinenii (3): 279-283, 1982

Deoxysugars isolated from mycoside A: identification of acetyl derivatives of methyl 2,4-DI-O-methyl-rhamnopyranoside, 2-O-methyl-rhamofuranoside, 3-O-methyl-rhamnofuranoside, 2-O-methyl-fucopyranoside and 3-O-methyl-fucofuranoside. Bulletin de la Societe de Chimie Biologique 52(6): 679-693, 1970

Synthesis of methyl uronates 3. synthesis of methyl methyl alpha d manno pyranoside uronate and its 2 methyl and 4 methyl esters/. Khimiya Prirodnykh Soedinenii (4): 429-431, 1983

Binary freezing point behavior of some saturated and unsaturated fatty acid methyl esters with methyl hepta decanoate. Journal of the American Oil Chemists' Society 48(4): 173-172, 1971

The preparation and x-ray crystallographic characterisation of methyl 4,6-O-benzylidene-2,3-di-C-methyl-2-O-(methylthio)methyl-α-d-allopyranoside, and its conversion into methyl 2,3-dideoxy-2,3-di-C-methyl-α-d-glycero-hexopyranosid-4-ulose. Carbohydrate Research 119: 85-93, 1983

Reaction of methyl 4,6-O-benzylidene-3-C-methyl-2-O-p-tolylsulfonyl-α-d-allopyranoside with sodium methoxide in methyl sulfoxide: synthesis of 6-deoxy-3-C-methyl-3-O-methyl-d-allose (2-hydroxy-d-cladinose). Carbohydrate Research 11(2): 257-262, 1969

Reaction of methyl 4 6 o benzylidene 3 c methyl 2 o p tolysulfonyl alpha d allo pyranoside with sodium methoxide in methyl sulfoxide synthesis of 6 deoxy 3 c methyl 3 o methyl d allose 2 hydroxy d cladinose. Carbohydrate Research: 257-262, 1969

Study of antithyroid substances. XI. Action of 6-methyl-5-piperidinomethyl-2-thiouracil, 5-diethylaminomethyl-6-methyl-2-thiouracil, 6-methyl-5-phthalimidomethyl-methyl-2-thiouracil, 6-methyl-5-salicylamido-methyl-2-thiouracil, 5-benzamidomethyl-6-methyl-2-thiouracil and 2-methyl-4-thioquinoline on body weight, thyroid gland weight and pituitary gland weight in albino rats. Archivio di Farmacologia Sperimentale E Scienze Affini 81(7-8): 150-158, 1953

Carbon 13 nmr spectroscopy of methyl methyl alpha d manno pyranoside uronate methyl esters. Bioorganicheskaya Khimiya 10(1): 88-92, 1984

Advanced oxidation and reduction process chemistry of methyl tert-butyl ether (MTBE) reaction intermediates in aqueous solution: 2-methoxy-2-methyl-propanal, 2-methoxy-2-methyl-propanol, and 2-methoxy-2-methyl-propanoic acid. Chemosphere 77(10): 1352-1357, 2010

Fat-deficiency disease of rats. The relative curative potencies of methyl linoleate and methyl arachidonate with a note on the action of the methyl esters of fatty acids from cod liver oil. Biochemical Journal 34(6): 879-883, 1940

Synthesis of methyl 4-amino-2,4,6-trideoxy-3-O-methyl-l-arabino-hexopyranosides (methyl α- and β-l-holantosaminide) and of methyl 4-amino-2,4,6-trideoxy-3-O-methyl-α-l-lyxo-hexopyranoside (methyl α-l-3-epiholantosaminide). Carbohydrate Research 65(1): 35-45, 1978