PetE 675

Advanced Petroleum Engineering Thermodynamics

Description

This course introduces molecular-level modeling of adsorption, diffusion, and transport phenomena in porous media, with applications to shale/tight formations and energy storage. Students will learn fundamental statistical thermodynamics, Monte Carlo and molecular dynamics simulation techniques, and practical use of Towhee and LAMMPS software. The course combines lectures, partial labs, and full lab sessions, culminating in a final project on multicomponent adsorption in different pore types, sizes, and temperatures.

Prerequisite: Consent of instructor.

Learning Outcomes

- Apply statistical thermodynamics to adsorption phenomena.
- Model adsorption and transport in porous media using Monte Carlo and molecular dynamics simulations.
- Characterize pores from adsorption data (NLDFT approach).
- Simulate convection and diffusion in bulk and confined systems.
- Conduct independent computational projects on multicomponent adsorption and diffusion, and analyze results.

• Details
• Pre-Requisites
• Co-Requisites
• GA - Graduate Attributes
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Undergraduate Program(s)

Sections & Respective Instructors

A1 - 2026/2027 - Winter - Zhehui (Charlie) Jin

A1 - 2025/2026 - Fall - Zhehui (Charlie) Jin

A1 - 2024/2025 - Fall - Zhehui (Charlie) Jin

A1 - 2023/2024 - Fall - Zhehui (Charlie) Jin