Study On Chemical Reaction Mechanism Of N-Pentanol Based On JSR

In order to gradually reduce the demand for fossil energy and accelerate energy transformation,biomass fuels are vigorously developing and utilizing in the world.Alcohol fuel is a common biomass fuel,which belongs to clean and renewable energy.It has a wide source,strong explosion resistance and low combustion temperature,which is conducive to reducing the emission of NOx.Therefore,it plays an important role in alternative fuels and emission control of automobile exhaust.At present,there are few studies on the basic combustion chemistry of n-pentanol,which results in that the chemical reaction mechanism of n-pentanol cannot be fully verified,so it is necessary to study the chemical reaction mechanism of n-pentanol deployment system.In terms of experiment,the oxidation of n-pentanol at medium and low temperature?700K¹100 K?in Jet-Stirred Reactor?JSR?was studied by Gas Chromatography-Mass Spectrometry?GC-MS?.The main components in the oxidation process were identified by Scanning Chromatography and Mass Spectrometry,and their mole fractions with temperature at different equivalence ratios??=2.0,1.0,0.5,0.35 and 0.2?were quantitatively analyzed.It was found that olefins and aldehydes were the main intermediates in the oxidation of n-pentanol.In terms of the model,a simplified mechanism of n-pentanol containing 148 species and575 reactions was established by CHEMKIN.The reaction rate parameters were optimized,and the reaction path of n-pentanol at low and medium temperatures was studied.The reaction paths of n-pentanol at different equivalent ratios are basically the same,except that the reaction flow has a small change.The initial reaction of n-pentanol is dehydrogenation to form three C₅H₁₀OH isomers(C₅H₁₀OH-11,C₅H₁₀OH-14 and C₅H₁₀OH-13).At low temperature,C₅H₁₀OH mainly generates propionaldehyde by oxygenation-isomerization-secondary oxygenation-secondary isomerization-cracking reaction;as the temperature increases,C₅H₁₀OH begins to crack through?-C-C,C₅H₁₀OH-11 is cleaved to form n-C₃H₇and C₂H₃OH,C₅H₁₀OH-14 is cleaved to form C₃H₆ and pC₂H₄OH,and C₅H₁₀OH-13 is cleaved to form 1-C₄H₈ and CH₂OH.In terms of model validation,the oxidation data of n-pentanol in Jet-Stirred Reactor at five equivalence ratios??=2.0,1.0,0.5,0.35 and 0.2?were validated.It was found that the simulated values were in good agreement with the experimental values.Therefore,the reduction mechanism constructed in this paper can accurately simulate the experimental results.