首页|B-COPNA resin formation from ethylene tar light fractions: Process development and mechanical exploration by molecular simulation
B-COPNA resin formation from ethylene tar light fractions: Process development and mechanical exploration by molecular simulation
扫码查看
点击上方二维码区域，可以放大扫码查看
原文链接
万方数据
An efficient utilization strategy of ethylene tar (ET), the main by-product of the ethylene cracking unit, is urgently required to meet demands for modern petrochemical industry. On the other hand, condensed polynuclear aromatic resin of moderate condensation degree (B-COPNA) is a widely used carbon material due to its superb processability, the production of which is, however, seriously limited by the high cost of raw materials. Under such context, an interesting strategy was proposed in this study for producing B-COPNA resin using crosslinked light fractions of ethylene tar (ETLF, boiling point<260 °C) facilitated by molecular simulation. 1,4-Benzenedimethanol (PXG) was first selected as the crosslinking agent ac-cording to the findings of molecular simulation. The effects of operating conditions, including reactions temperature, crosslinking agent, and catalyst content on the softening point and yield of B-COPNA resin products were then investigated to optimize the process. The reaction mechanism of resin production was studied by analyzing the molecular structure and transition state of ETLF and crosslinking agents. It was shown that PXG exhibited a superior capacity of withdrawing electrons and a higher electrophilic reactivity than other crosslinking agents. In addition to the highest yield and greatest heat properties, PXG-prepared resin contained the most condensed aromatics. The corresponding optimized conditions of resin preparation were 180 °C, 1:1.9 (PXG:ETLF), and 3％(mass) of catalyst content with a resin yield of 78.57％. It was the electrophilic substitution reaction that occurred between the ETLF and crosslinking agent molecules that were responsible for the resin formation, according to the experimental charac-terization and molecular simulation. Hence, it was confirmed that the proposed strategy and demon-strated process can achieve a clean and high value-added utilization of ETLF via B-COPNA resin preparation, bringing huge economic value to the current petrochemical industry.
Ethylene tarCrosslinkingCOPNA resinMolecular simulationTransient state
Hongyan Shen、Lingrui Cui、Xingguo Wei、Yuanqin Zhang、Lian Cen、Jun Xu、Fahai Cao
展开 >
Engineering Research Center of Large Scale Reactor, East China University of Science and Technology, Shanghai 200237, China
万方数据
