HOMO-LUMO energy gap; Resorcinol; phenol; DFT

Nowadays, because of huge amount of solvent consumption in our country and also in the world, considering the existence of hydrocarbon resources, the basic engineering design of factories and petrochemical plant is mandatory. It could be discussed that in our country, all the petroleum and gas industry factories are just fabricated in Iran and its basic design is done in multinational companies and foreign countries. Each product in petroleum industry accompanied a special method of production, which is designed by a couple of foreign companies. They could reach these methods by research and registration on their own name. In this research, the process for the production of AW-402 solvent is investigated and its condition is optimized.