Temperature Extrapolation of Henry’s Law Constants and the Isosteric Heat of Adsorption

Computational screening of adsorbent materials often uses the Henry’s law constant (K H) (at a particular temperature) as a first discriminator metric due to its relative ease of calculation. The isosteric heat of adsorption in the limit of zero pressure (q st ∞) is often calculated along with the H...

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Veröffentlicht in:	The journal of physical chemistry. B 2022-10, Vol.126 (40), p.7999-8009
Hauptverfasser:	Siderius, Daniel W., Hatch, Harold W., Shen, Vincent K.
Format:	Artikel
Sprache:	eng
Schlagworte:	B: Liquids Chemical and Dynamical Processes in Solution
Online-Zugang:	Volltext
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