CBE 5710
Transcript Abbreviation:
(N/A)
Course Description:
Methods used to model catalyst reactivity at the atomic-scale; application of quantum methods, primarily density functional theory (DFT); kinetic Monte Carlo and microkinetic modeling; using DFT to simulate surface science and catalysis spectroscopy methods.
Course Levels:
(N/A)
Designation:
(N/A)
General Education Course:
(N/A)
Cross-Listings:
(N/A)
Credit Hours (Minimum if “Range”selected):
3.00
Max Credit Hours:
3.00
Select if Repeatable:
Off
Maximum Repeatable Credits:
(N/A)
Total Completions Allowed:
(N/A)
Allow Multiple Enrollments in Term:
No
Course Length:
14 weeks (autumn or spring)
Off Campus:
Never
Campus Location:
Columbus
Instruction Modes:
(N/A)
Prerequisites and Co-requisites:
Prereq: 3610 and Chem 4300; or Grad standing; or permission of instructor.
Electronically Enforced:
No
Exclusions:
(N/A)
Course Goals / Objectives:
Understand basic catalyst kinetic and surface science experiments with the goal of trying to model this output from computational modeling
Run practical DFT calculations for surface reactions
Use statistical mechanics with DFT to evaluate the free energy and rates of surface processes (diffusion, adsorption/desorption, reaction).
Use kinetic Monte Carlo (kMC) or microkinetic modeling to study catalyst kinetics.
Become aware of advantages and limitations of molecular modeling in catalysis
Synthesize modeling results and interpret in relation to catalyst experiments
Understand and evaluate literature involving computational catalysis
Check if concurrence sought:
No
Contact Hours:
(N/A)
Grading Plan:
Letter Grade
Course Components:
Lecture
Grade Roster Component:
Lecture
Credit by Exam (EM):
No
Grades Breakdown:
| Aspect | Percent |
|---|---|
| No Grade Breakdown Entered. | |
Representative Textbooks and Other Course Materials:
| Title | Author | Year |
|---|---|---|
| No Textbooks and Other Course Materials Entered. | ||
ABET-CAC Criterion 3 Outcomes:
(N/A)
ABET-ETAC Criterion 3 Outcomes:
(N/A)
ABET-EAC Criterion 3 Outcomes:
(N/A)
Embedded Literacies Info: