This study revamps and optimizes the teaching and learning process and instrument for the classic binary vapor-liquid equilibrium experiment by combining activity coefficient model simulations and practical exercises. Our teaching process combines a software simulation and practical exercises. Utilizing Aspen software, students can predict phase diagrams, independently design experimental measurement points, and evaluate models through regression. Comparing predicted regression values and experimental data helps students with error analysis and proposed experimental improvements. The experimental design is led by students, with online software assistance provided by the teacher. In addition, compared to traditional boiling bottles, the universality, efficiency, and accuracy of the experimental apparatus in this study are notably improved. The discrepancy between experimental data, prediction, and regression results sparks substantial interest and profound contemplation among students on the characteristics of experimental devices. The student-centered exploratory experiment considerably improves the student-teacher relationship in the context of teaching and learning.