CHBE 494

Spring 2023 Part of Term 1

Part of Term 1
Jan 17-May 3

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Credit: 1 TO 3 hours.

Study of topics in chemical engineering; content varies from term to term. Typical topics include optimization, chemical kinetics, phase equilibrium, biochemical engineering, kinetic theory, and transport properties.

1 to 3 undergraduate hours. 1 to 3 graduate hours. May be repeated. Prerequisite: Senior standing in Chemical and Biomolecular Engineering or consent of instructor.

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CHBE 494 class schedule data for spring 2023
	CRN	Type	Section	Time	Day	Location	Instructor	Section Details
	32045	Lecture	AM	11:00AM -12:20PM	TR	Gregory Hall	Mironenko, A	Part of Term: 1 Date Range: 01/17/23-05/03/23 Credit: 3 hours Section Title: Predictive Models & Simulation Section Info: Meets with CHBE 594 AM. Modern computational methods enable predictions of novel catalysts, materials, and molecules on a computer as an alternative to the traditional “trial-and-error” experimentation. The course describes state-of-the-art developments and theories that make computational discoveries possible. As part of the course, students will write computer codes to make property predictions for model molecules, chemical reactions, and liquids. About one-third of the course covers quantum mechanical modeling, ranging from fundamentals of quantum mechanics and density functional theory to approximate semiempirical theories and reactive force fields. The two-thirds of the course span a breadth of topics, including interatomic potentials, molecular dynamics, Monte Carlo, coarse-graining, QM/MM, scaling relationships, kinetic Monte Carlo, and mean-field kinetic modeling from first principles. Restriction(s): Restricted to Undergrad - Urbana-Champaign.