Ising model-modified kelvin analysis (IMMKA) for the prediction of water adsorption equilibrium and assessment of contact angle in carbon micropores

Abstract

The unpredictable nature of the interaction of water molecules with carbon surfaces is evident in the wide-ranging behavior observed in simple macroscopic observations such as contact angle. Complex fluid–solid and fluid–fluid interactions can convolute the observed behavior and when coupled with confinement at the nanoscale, large deviations might be expected in predictions via macroscopic properties. However, by delivering a quantitative description of water adsorption in microporous carbon, this study demonstrates that macroscopic features can predict nanoscale behavior of confined water. Furthermore, through introduction of nanocapillarity and nanowetting, an Ising-Model-Modified-Kelvin Analysis (IMMKA) for water adsorption is proposed, interpreted and validated.