In this paper, the factors leading to inactivation of molecular sieve are explored in batch thiophene (TH) acylation. The coexistence acetic anhydride (AC) as reactant and 2-acetylthiophene (2-ATH) product plays a key role accelerating inactivation, attributing 2-ATH polymerization. According simulation, when AC is not present, energy barrier polymerization can be reduced from 287.45 kJ/mol 85....