Project Info
Developing computational tools for phase equilibria calculations
Amadeu Sum
asum@mines.edu
This project will involve the development of computational tools for phase equilibria calculations. Students will develop the code (in Python) for common equilibriuk conditions based on existing models. The goal is to develop a user-fdriendly tool that can be accessible locally and remotely via the web. This tool will be used by other researchers and potentially industry to perform phase equilibria calculations.
More Information:
Grand Challenge: Engineer the tools of scientific discovery
Y. Hu, J.-H. Sa, B. R. Lee, and A. K. Sum, “Universal Correlation for Gas Hydrates Suppres- sion Temperature of Inhibited Systems: III. Salts and Organic Inhibitors,” AIChE Journal, 64 (11), 4097-4109 (2018). Editor’s Choice article [doi: 10.1002/aic.16369]
T. H. Sirino, M. A. M. Neto, D. Bertoldi, R. E. M. Morales, A. K. Sum, “Multiphase Flash Calculations for Gas Hydrates Systems,” Fluid Phase Equilibria, 475, 45-63 (2018). [doi: 10.1016/j.fluid.2018.07.029]
Primary Contacts:
I will be the primary contact for the student.
Student Preparation
Qualifications
Coding and computationa skills with especial emphasis on Python with interface to online resources.
TIME COMMITMENT (HRS/WK)
6-8
SKILLS/TECHNIQUES GAINED
Students will learn about thermodynamics, phase equilibria, code development, and online tool deployment.
MENTORING PLAN
Regular weekly meetings will be setup to discuss the progress of the project.
PREFERRED STUDENT STATUS
Freshman
Sophomore
Junior
Senior