# Numerical implementation of the multicomponent potential theory of adsorption in Python using the NIST Refprop database

## TL;DR

This paper details a Python-based numerical implementation of the multicomponent potential theory of adsorption, utilizing the NIST Refprop database to accurately model gas mixture adsorption in various regimes.

## Contribution

It introduces a comprehensive Python implementation of the multicomponent potential theory of adsorption using NIST Refprop, addressing practical challenges and demonstrating with CH4/CO2 mixtures.

## Key findings

- Successful modeling of CH4/CO2 adsorption isotherms
- Identification of limitations in the current model
- Application across subcritical and supercritical regimes

## Abstract

In this paper, we present a detailed numerical implementation of the multicomponent potential theory of adsorption which is among the most accurate gas mixtures adsorption models. The implementation uses the NIST Refprop database to describe fluid properties and applies to pure gases and mixtures in both subcritical and supercritical regimes. The limitations of the model and the issues encountered with its implementation are discussed. The adsorption isotherms of CH4 / CO2 mixture are modeled and parameterized as implementation examples.