This repository contains the tools used in our published paper to study the kinetics of methane hydrate’s thermal dissociation. These tools include Python scripts and TCL scripts, organized in the following directories:
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hydrate_diss_mass: This folder contains the Python scripts used to calculate the mass of the remaining hydrates while dissociating. The calculation is performed using the template-matching algorithm. -
tcl_scripts: This folder contains the TCL scripts that automate the loading of LAMMPS trajectory files. Additionally, it automates the rendering of sliced chunks of the box, which are used as input to the Python scripts.
These tools have been carefully developed and used in our research, and we believe that they can be beneficial for similar studies in the field.
I am looking to fill two fully funded Ph.D. positions on a DOE grant that focuses on coarse-grained molecular dynamics simulation of CO2 gas hydrates in my research group at Louisiana State University. The position requires research experience with MD, LAMMPS, or GROMACS. Please feel free to contact me at folorode@lsu.edu if you are interested in this.