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
Dr. Jose Palomar Dr. Jose Palomar is Associate Professor in Chemical Engineering Section of Universidad Autonoma de Madrid (Spain). He was formed initially in the area of Physical Chemistry,obtaining his PhD in Science from UAM in 2000 and doing a postdoctoral stay at Florida State University (USA). In 2001, he is incorporated as a professor at the Chemical Engineering Department of the UAM, where he developed his research in the study of pollutant removal treatments. Since 2007, Prof. Palomar leaded a multidisciplinary group that promotes new research lines focused on the development of knowledge and practical applications of ionic liquids (ILs), such as: i) CO2 capture by IL-based systems; ii) Treatment of gaseous contaminants by absorption with ILs; iii) Development of advanced nano and micromaterials based on ILs; iv) Recovery and/or removal of ILs contaminating water streams; and v) Integration of molecular and process simulation computational tools for the conceptual design of industrial applications based on ILs. Prof. Palomar has participated in 14 competitive research projects, being the research leader in 9 of them, directed 3 Doctoral Thesis (and 4 more in course), published 71 research articles in SCI journals and presented 100 contributions to international and national meetings. Prof. Palomar presents h-index of 21, his scientific articles are 80% in Q1, having received more than 1300 cites. The group led by Prof. Palomar maintains close collaborations with relevant international groups in the field of ILs [Prof. Joan F. Brennecke, University of Notre Dame (USA), Prof. Joao A. P. Coutinho, Universidad de Aveiro (Portugal); Prof. Francisco Rodriguez, Universidad Complutense de Madrid (Spain), Prof. Angeles Dominguez, Universidad de Vigo (Spain), Prof. John M. Prausnitz, University of California (USA) and Prof. Charles A. Eckert, Georgia Institute of Technology (USA)]; which have leaded to common projects and publications, as well as several interchanges of PhD students. Likewise, the group has also established cooperation with companies such as Cosmologic (Germany), AspenTechnology (USA), OHL (Spain), PRAXAIR (Spain) and CEPSA (Spain).
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Dr. Tamal Banerjee Dr. Tamal Banerjee earned his PhD degree from Indian Institute of Technology Kanpur in the year 2006. Subsequently, he joined the Indian Institute of Technology Guwahati as an Assistant Professor in the Department of Chemical Engineering. His interest primarily lies in the Phase Equilibria Properties of Ionic Liquid systems and focusses the use of Ionic Liquids (ILs)/Deep Eutectic Solvents (DES) as green solvents for various applications concerning both energy generation and environment mitigation. The use of ab-initio methods and Molecular dynamics methods to predicts properties are his major domain. The properties of interests are: activity co-efficients and Phase diagrams (VLE,LLE,SLE,VLLE) . He has published over 65 papers in reputed peer reviewed Journals with over 1000 cites and an H-index of 19. He was awarded the Indo-US Fellowship in Engineering Sciences in 2011 and presently the Associate Editor of the International Journal of Biotechnology, Chemical and Environmental Engineering (IJBCEE). He was a Visiting Faculty at the Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, Delaware during 2011-2012. |
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. |
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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. |
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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. |
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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. |
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11:00 - 12:00 PM |
Integration of molecular and process simulation for the conceptual design of new chemical products and processes. |
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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 |
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16th December |
9:30 - 10:30 AM
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Integration of COSMO-based methods in AspenPlus code |
Lecture I: Introducing new chemical product in Aspen database |
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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 |