A Lightweight, Open-Source Web Application to Simulate the Equilibrium and Inhibition of Clathrate Hydrates Using Existing Models and Techniques.

The capability of predicting the occurrence and inhibition of clathrate hydrates is integral to several academic and industrial spaces - gas pipelines, carbon sequestration, and even isotope separation. This program is a Python-based web application that utilizes existing methods, primarily the Sandler-Klauda 2003 equilibrium model and the Hu-Lee-Sum inhibition model and is the first of its kind as a web-based application. The web application uses Streamlit as the web backend and is deployed on the Streamlit Community Cloud. The average error between the calculated hydrate equilibrium pressures and the literature values are comparable and, in some cases, superior to highly-used models and programs. Furthermore, the Langmuir parameters were fit for H2S, i-C4H10, and O2 for the Sandler-Klauda 2003 model, with errors of 6.39, 4.22, and 4.79 percent, respectively. The empty hydrate vapor pressure parameters were also fit for H2S and O2 for the Sandler-Klauda 2000 and 2003 models. This free, online, and open-source program is the first of its kind and will be a powerful tool for any researcher or industry professional dealing with clathrate hydrates.