Experimental And Kinetic Modeling Studies On Pyrolysis Of C3-C5Chain Fat Acid Methyl Esters

Synchrotron radiation vacuum ultraviolet photoionization (SR VUVPI) mass spectrometry and molecular beam sampling method were used for the low pressure pyrolysis studies on C3-C5fat acid methyl esters (FAMEs). On the basis of experimental results and theoretical calculations, a detailed kinetic model was developed to validate the experimental data.In Chapter1, the research background and signification of biofuel are presented. The necessity of biofuel for the substitution of fossil fuels is descrived. Then we introduce the development of biodiesel in the world. C3-C5methyl esters are the model molecular of biodiesel. We introduce the recent research progress of C3-C5methyl esters. At last, the aim and significance of this dissertation are presented.In Chapter2, the experimental setup, method and mole fraction calculation method of pyrolysis are introduced. The methods of temperature and pressure measurements are also presented. Meanwhile, the usage of Chemkin program is introduced for kinetic modeling. Theoritical calculation method is also presented here.In Chapter3, the experiment conditions of methyl acetate (MA) pyrolysis are illustrated. Photoionization efficiency (PIE) and photoionization mass spectrometry (PIMS) were both measured for the identification of pyrolysis products and mole fraction evaluation. A detail kinetic model was developed for the simulation of MA’s pyrolysis. Rates of production (ROP) analysis and sensitivity analysis were applied for the study of reaction pathways of MA’s consumption and formation pathways of products.In Chapter4, the pyrolysis experiment of methyl propionate (MP) was carried out. Pyrolysis products were identificated and mole fraction profiles were calculated. A detailed kinetic model for MP’s pyrolysis was developed. ROP analysis and sensitivity analysis was used to illustrate the detail diagram of reaction pathways.In Chapter5, the mole fraction profiles of methyl butanoate (MB) pyrolysis was calculated. The MB model from literature was used for the simulation. On the basis of Dooley’s MB model, a new kinetic model for low pressure pyrolysis of MB was developed. The modeling results of two models were compared. Diagram of reaction pathways of MB was illustrated.