The Study On Chemical Reaction Kinetics Of N-butanol&N-heptane

With scientific and technological development and social progress,there is a growing human need for energy,and the depletion of petroleum and the increasingly serious environmental problems make it necessary to research clean and efficient energy sources.The application of Alcohol fuel,especially n-butanol is gradually widened because of the high-octane rating and the potential of clean combustion.Research method for kinetics of chemical reactions is used in this paper to study the medium and low temperature（800-1100K）oxidation combustion of n-butanol&n-heptane（1:1）,and the chemical reduced mechanism is built,the simplification of the n-butanol&n-heptane is helpful to microscopically comprehend the combustion process.In this paper,CHEMKIN is applied to simplify the detailed chemical reaction mechanism of n-butanol&n-heptane and to verify the ignition delay period and laminar burning velocity of the simplified mechanism based on the chemical reactions kinetics.During the process of establishing the simplified mechanism of n-butanol,it is concluded that C₄H₈OH-1 and C₄H₈OH-3 are important components of isomeride of C₄H₈OH based on sensitivity analysis and reaction path analysis under different equivalence and pressure.On this basis,a simplified n-butanol&n-heptane mechanism containing 174 components and889 chemical equations is obtained.Jet-Stirred Reactors is one kind of reactor using for combustion research.In this paper,medium and low temperature oxidation test stand mainly contains JSR and GC-MS was set up in order to research the combustion of n-butanol&n-heptane.4 experiments of different equivalence（0.3,0.5,1 and 2）were conducted under the condition of 1atm and 800-1100K and 14 important material concentrations were measured and the measurement result was compared with that of the n-butanol&n-heptane simplified mechanism in ideal reaction agitator in CHEMKIN.It can be concluded from the comparison results that with the increase of the equivalence,the initial reaction temperature and the final reaction temperature increased,which demonstrates that equivalence has great impact on the reaction.The simulation results fit well with that of the experiment which means that the n-butanol&n-heptane simplified mechanism built in this paper can be used to predict the experiment result and the precision is acceptable.