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 ℃) facilitated by molecular simulation. 1

4-Benzenedimethanol (PXG) was first selected as the crosslinking agent according 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 ℃

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 characterization and molecular simulation. Hence

it was confirmed that the proposed strategy and demonstrated 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.