10.491 Integrated Chemical EngineeringSpring 1999

Material Property Estimation and Design

Instructor: Gregory C. Rutledge
66-368, x3-0171, rutledge@mit.edu

Teaching Assistant: Numan Waheed
66-453, x3-6484, nwaheed@mit.edu

Meeting times: MTWF 10-11am, 66-144

Office hours: M 1-2pm (Rutledge)
(Waheed)

Recommended texts:Web Site: http://heavenly.mit.edu/~eprof

Van Krevelin, Properties of Polymers, 3rd ed., Elsevier: Amsterdam, 1990.

Rowley, R.L., Statistical Mechanics for Thermophysical Property Calculations, Prentice Hall: Engelwood Cliffs, NJ, 1994.

Billmeyer, F.W., Textbook of Polymer Science, 3rd ed., Wiley Interscience: New York, 1984.

This module is a case study of a product design problem, with a focus on
development of an environmentally benign new polymer. We will look at the influence of molecular structure on properties of polymers and learn to use state-of-the-art computer simulations to characterize polymers and generate estimates of material properties.

Most assignments will make use of the MSI suite of molecular simulation modules, accessible from any Athena SGI workstation, as well as from SGI workstations in the department graphical workstation cluster located in 66-008. 10.491 Integrated Chemical Engineering

Module III: Material Property Estimation and Design April 7 - May 12

	Date	Topic	Reading assignment
Week 1	Apr. 7,9	Issues and Methods in Product Design	Narayan Hocking Reid et al
Week 2	Apr. 12	Electronic classroom session, 4-035
	Apr. 13,14,16	Introduction to Polymer Properties	Web pages: Introduction to Polymers, conformation, tacticity
Week 3	Apr. 19,20	Patriots' Day Holiday
	Apr. 21,23	Methods for Estimating Properties of Materials	Group contributions Topology method
	Apr. 21	Electronic classroom session, 4-035 (4-6pm)
Week 4	Apr. 26	Electronic classroom session, 4-035
	Apr. 27,28	Methods for Estimating Properties of Materials (cont)	Molecular simulation
	Apr. 30	No class
Week 5	May 3	Electronic classroom session, 4-035
	May 4,5,7	Product Design Considerations	Engelberg and Kohn Gilbert et al Outside reading
Week 6	May 10	Electronic classroom session, 4-035
	May 11,12	Design presentations

Notes:
1. Each Monday with the exception of Patriots Day (Apr. 12, 25, May 3,10) the class will meet in the Athena cluster in Room 4-035 for a computational laboratory in molecular simulation.

2. There will be no class on Friday, Apr. 30. Instead, we will have a special evening electronic classroom session from 4-6pm on Apr. 21.