p2f-HydrateCalcLib 0.1.0.4

A package providing functionality for the simulation of equilibrium and inhibition of clathrate hydrates

p2f_HydrateCalcLib

A Python Library for the Prediction of Natural Gas Hydrate Equilibrium and Inhibition. Developed by Karsten Kunneman in collaboration with Prof. Amadeu K. Sum at the Colorado School of Mines

Version 0.1.0.4 - 2025/11/16

This tool is designed to determine the equilibrium conditions for a given single- or multiple-component hydrate system, including systems in the presence of inhibitors (alcohols, glycols, and salts).

This tool is based primarily on the following models:

• Phase behavior of clathrate hydrates: a model for single and multiple gas component hydrates by J. B. Klauda and S. I. Sandler [doi: 10.1021/ie000322b]
• Universal correlation for gas hydrates suppression temperature of inhibited systems: III. salts and organic inhibitors by Y. Hu, J.-H. Sa, B. R. Lee, and A. K. Sum [doi: 10.1002/aic.16369] For Questions, Suggestions, or Bug Reports, please contact Prof. Amadeu K. Sum: [e-mail]

To cite this library, please cite: p2f-hydratecalc: A web Python-based tool for the prediction of natural gas hydrate equilibrium and inhibition by Karsten Kunneman and Amadeu K. Sum [doi: 10.1016/j.softx.2025.102422]

For Questions, Suggestions, or Bug Reports, please contact Prof. Amadeu K. Sum: [e-mail]

Disclaimer: The model and predictions have been tested and verified to be accurate based on extensive comparison with available literature data. However, this web app is provided "as is" and "as available" without any warranties of any kind, either express or implied, including, but not limited to, implied warranties of use, merchantability, fitness for a particular purpose, and non-infringement.

©2025, All Rights Reserved Full source code available at https://github.com/karstenkunneman/p2f_HydrateCalcLib This work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International License. To view a copy of this license, visit https://creativecommons.org/licenses/by-sa/4.0/.