Comment on "An optimized potential for carbon dioxide" [J. Chem. Phys. 122, 214507 (2005)]

TL;DR

This paper critically evaluates a molecular model for carbon dioxide, revealing significant deviations in vapor pressure and vapor density predictions across all temperatures, indicating limitations in the model's accuracy.

Contribution

It provides an assessment of the existing molecular model for CO2, highlighting its inaccuracies in vapor-liquid equilibrium predictions.

Findings

Vapor pressure deviations above 15% across all temperatures

Saturated vapor density deviations above 15%

Model shows significant limitations in predictive accuracy

Abstract

A molecular model for carbon dioxide is assessed regarding vapor-liquid quilibrium properties.Large deviations, being above 15 %, are found for vapor pressure and saturated vapor density in the entire temperature range.