Effect of cis/trans molecular structures on pyrolysis performance and heat sink of decalin isomers  

作　　者：Qing Liu Kang Xue Tinghao Jia Zhouyang Shen Zehao Han Lun Pan Ji-Jun Zou Xiangwen Zhang 

机构地区：[1]Key Laboratory for Green Chemical Technology of the Ministry of Education,School of Chemical Engineering and Technology,Tianjin University,Tianjin 300072,China [2]Collaborative Innovative Center of Chemical Science and Engineering(Tianjin),Tianjin 300072,China [3]Haihe Laboratory of Sustainable Chemical Transformations,Tianjin 300192,China [4]Zhejiang Institute of Tianjin University,Ningbo 315201,China

出　　处：《Frontiers of Chemical Science and Engineering》2024年第1期51-60,共10页化学科学与工程前沿（英文版）

基　　金：support from the National Key R&D Program of China(Grant No.2021YFC2103701);the Haihe Laboratory of Sustainable Chemical Transformations for financial support,the Postdoctoral Science Foundation of China(Grant No.2021M702810);the National Natural Science Foundation of China(Grant No.22208295)。

摘　　要：Decalin is considered as an important compound of high-energy-density endothermic fuel,which is an ideal on-board coolant for thermal management of advanced aircraft.However,decalin contains two isomers with a tunable composition,and their effects on the pyrolysis performance,such as the heat sink and coking tendency have not been demonstrated.Herein,we investigated the pyrolysis of decalin isomers,i.e.,cis-decalin,trans-decalin and their mixtures(denoted as mix-decalin),in order to clarify the effects of the cis-/trans-structures on the pyrolysis performance of decalin fuels.The pyrolysis results confirmed that conversion of the tested fuels(600–725℃,4 MPa)decreased in the order cis-decalin>mix-decalin>trans-decalin.Detailed analyses of the pyrolysis products were used to compare the product distributions from cis-decalin,mix-decalin and trans-decalin,and the yields of some typical components(such as cyclohexene,1-methylcyclohexene,benzene and toluene)showed significant differences,which could be ascribed to deeper cracking of cis-decalin.Additionally,the heat sinks and coking tendencies of the decalins decreased in the order cis-decalin>mix-decalin>trans-decalin.This work demonstrates the relationship between the cis/trans structures and the pyrolysis performance of decalin,which provides a better understanding of the structure-activity relationships of endothermic hydrocarbon fuels.

关 键 词：endothermic fuel DECALIN PYROLYSIS heat sink molecular structure 

分 类 号：O62[理学—有机化学]