Course On

"Integration of Molecular Design to Process Simulation for the Development of Industrial Chemical Products and Processes"

July,2016

Indian Institute Of Technology Guwahati, Guwahati

 

Course Instructors

Course Details

Day
Lecture (Time)
Programme
12th December
  Module A. Quantum Chemical Methods and Molecular Design
9:30 - 10:30 AM
Introduction to molecular and process simulation in the development of  Industrial Chemical Products and Processes.
11:00 - 12:00 PM
Quantum chemical methods: Fundamentals and application to molecular design.
2:00 - 3:00 PM
Professional software for quantum chemical calculations: Practical examples of application to molecular design.
Lecture I: Gaussian software.
3:00 - 4:00 PM
Lecture II: Turbomole software.
13th December
  Module B. COSMO-based Methods and Product Design
9:30 - 10:30 AM
COSMO-based methods: Fundamentals and prediction of thermodynamic properties for the design of operation units in industrial processes.
11:00 - 12:00 PM
Application of COSMO variants method to the design of new chemical products with thermodynamic properties
2:00 - 3:00 PM
COSMOtherm software COSMO-RS: Practical examples of application to chemical product design
Lecture I: Mixture property analysis
3:00 - 4:00 PM
Lecture II: Solvent selection for separation process
14th December
  Module C. AspenPlus and Process Design
9:30 - 10:30 AM
Process simulation: A quasi-universal computational tool nowadays for developing industrial chemical processes.
11:00 - 12:00 PM
Integration of molecular and process simulation for the conceptual design of new chemical products and processes.
15th December
9:30 - 10:30 AM
Professional software for process simulation (AspenPlus):  Practical examples of application to chemical process design
Lecture I: Liquid-Liquid separation processes
10:30 - 11:30 AM
Lecture II: Gas-liquid separation processes
16th December
9:30 - 10:30 AM
Integration of COSMO-based methods in AspenPlus code
Lecture I: Introducing new chemical product in Aspen database
10:30 - 11:30 AM
Lecture II: New technical and economic criteria to design new chemical products with specific properties
11:30 - 12:30 PM
Lecture III:  Practical examples of application to conceptual design of new chemical products and processes
17th December
10:00-12:00 PM
Examination for students