COSMO-RS

AS A COMPUTATIONAL PREDICTION TOOL FOR THERMODYNAMIC BEHAVIOUR OF FLUID MIXTURE IN SEPARATION PROCESS

 

DATE: 29 OCTOBER 2019

DURATION: 8:30 AM - 5:00PM

VENUE: DEPARTMENT OF CHEMICAL ENGINEERING, UNIVERSITY OF MALAYA

 

COSMO-RS (Conductor-like Screening Model for Real Solvent) has attracted much attention due to its ability to describe thermodynamic properties and behaviour of solvents such as ionic liquids. It is a model which combines two methods, i.e. (i) quantum chemical considerations in the form of a conductor-like-screening tool, and (ii) statistical thermodynamics. The combination enables the determination and prediction of thermodynamic properties without requiring experimental data. It is a reliable tool for solvent screening and qualitative prediction of thermodynamic behaviour of fluid mixture.

 

Objective and Outline

The Workshop is to demonstrate the general use of COSMO-RS programme as a computational prediction tool. It will cover the following topics: (a) Theory and background of quantum chemical methods, (b) Introduction to COSMO-RS and its principles, and (c) Applications of COSMO-RS. Participants will be exposed to the relevant theories and will be involved in practical learning sessions.

 

Learning Outcomes

After attending this Workshop, participants should be able to:

• Perform molecular geometry optimization and create .cosmo files for use in COSMOtherm.
• Utilize COSMOtherm for specific applications of interest.
• Demonstrate the importance of computational tools for prediction of thermophysical and thermodynamic properties of fluid mixtures.

 

Participant Registration

Step 1: Kindly go to the following link: https://umconference.um.edu.my/#page-top

Step 2: Click on USER REGISTRATION, complete the form & click SUBMIT

Step 3: Once you have received confirmation, click on the LOGIN icon on top right hand corner.

Step 4: Sign in into your account: https://umconference.um.edu.my/login

Step 5: Click on Conference List from the menu-list on the left

Step 6: Search for workshop: keyword COSMO

Step 7: Click on the REGISTER icon & complete the form.

Step 8: Once registration is completed, follow through with the payment option.

Step 9: Click on the Pay Now tab.

Step 10: Choose payment option & click on the RED tab.

Step 11: Follow thru the procedures & obtain your receipt of payment.

Step 12: See you at the workshop!!!

 

Registration Fees

National / Local Participants  RM 350.00

International Participants       USD 100.00

IMPORTANT

* Only 40 places available.

* First Come First Serve Basis.

* Priority to those who complete payment.

* Good News! Group participants (5 or more) will receive a REBATE of RM50.00 each!

 

For further details, kindly contact:
Kumuthini Chandrasekaram
Research Officer
University of Malaya Centre for Ionic Liquids, Department of Chemistry, Faculty of Science,
University of Malaya, 50603 Kuala Lumpur, Malaysia.
Email: kumuthinic@um.edu.my
Contact No: +60379674269/5160