Abstract In the course design of chemical engineering principle, the scientific research project “dimethyl sulfide, methanol and water separation design project” entrusted by a pharmaceutical factory was transformed into a typical teaching case. Combined with modern computer-aided technology, the quantitative calculation software Gaussian and chemical simulation software Aspen Plus were introduced to carry out the design of the azeotrope separation by extractive distillation from the microscopic and macroscopic, respectively. Based on the density functional theory, it was confirmed that the existing component water could change the relative volatility of the binary azeotrope of dimethyl sulfide and methanol and eliminate the azeotrope via Gaussian software. Afterwards, the extractive distillation process for the azeotrope separation was further simulated and optimized using the Aspen Plus software. Finally, industrial design and equipment selection were carried out. The design of the above practical case creatively uses the existing components of the mixed liquid as the extractant, and realizes the separation of the azeotrope through the extractive distillation process, which makes up for the shortcomings of the product carrying trace third components in traditional extractive distillation. It greatly stimulates the students' interest in learning, enriches the teaching content of the course, and thoroughly explains the complex process of extractive distillation, which promotes the improvement of teaching quality and enhances the engineering design ability of students. The students participated in the National University Chemical Design Competition for many times and achieved excellent results.
YANG Jin-Bei, YU Mei-Qiong, CHEN Wen-Tao. Application of Gaussian and Aspen Plus in Course Design of Chemical Engineering Principle[J]. Chinese Journal of Chemical Education, 2021, 42(4): 78-85.
