高等学校化学学报Issue(4)：755-759,5.DOI:10.7503/cjcu20130749
高密度烃燃料四氢环戊二烯三聚体的合成及热裂解
Synthesis and Thermal Decomposition of Tetrahydrotricyclopentadiene as a High Density Hydrocarbon Fuel
摘要
Abstract
As a high density hydrocarbon fuel, tetrahydrotricyclopentadiene( THTCPD) was synthesized from dicyclopentadiene and indene by D-A reaction and hydrogenation. The density of THTCPD is 1.082 g/cm3 , volumetric combustion heat is 47.5 MJ/L, flash point is 120 ℃ and freezing point is 48-49 ℃. Thermal de-composition of THTCPD was studied in a decomposition reactor at atmospheric pressure, in the temperature range of 973-1153 K. Products were detected by gas chromatography-mass spectroscopy. The major products were methane, ethylene, propylene, cyclopentene, cyclopentadiene, benzene and toluene. The conversion of THTCPD at different temperatures and time was investigated. The results indicated that the effect of tempera-ture was superior to other factors in this reaction. A primary mechanism including nine pathways was also pre-sumed according to the main products of the reaction and the monoradical mechanism. Density functional theo-ry calculations ( X3 LYP ) of the potential energy surface was performed to investigate the mechanisms of THTCPD breakdown. Relative energy and ratio of reation routes were computed. The kinetic equation of ther-mal decomposition was obtained by relation of the conversion and temperature. The pre-exponential factor and activation energy overall reaction order for thermal cracking of THTCPD were determined by linear regression analysis to be 133.75 and 6.67í104 kJ/mol, respectively.关键词
高密度烃燃料/四氢环戊二烯三聚体/热裂解Key words
High density hydrocarbon fuel/Tetrahydrotricyclopentadiene/Thermal decomposition分类
化学化工引用本文复制引用
杜咏梅,李春迎,张建伟,王伟,亢建平,吕剑..高密度烃燃料四氢环戊二烯三聚体的合成及热裂解[J].高等学校化学学报,2014,(4):755-759,5.基金项目
中国GCSSFXQ科技工程中心0901工程项目(批准号:00402040202)资助.@@@@Supported by the Science and Engineering Center of China(GCSSFXQ)(No.00402040202) （批准号:00402040202）
