Calculations of Henry's law constants for adsorption of aromatic hydrocarbons on a graphitic carbon surface
- Univ. of Tennessee, Chattanooga, TN (United States)
Correlations were developed and used to calculate energetic and structural parameters which, in turn, were used to calculate Henry's law constants for the adsorption of a series of aromatic hydrocarbons on a graphitic carbon surface. The adsorption energetic parameter was correlated with a ratio involving the critical temperature divided by the square root of the critical pressure of the adsorbate molecule. The structural parameter was correlated with the cross-sectional molecular area obtained from available molecular modeling software, CAChe. Calculations of Henry's law constants per unit surface area were compared to available experimental values for 17 aromatic hydrocarbons divided into groups of mono-substituted benzene and methyl-substituted benzene. This approach could be used to predict the extent adsorption in the Henry's law region using only adsorbate molecular properties where correlations have been established for a series of molecules of similar structure. 11 refs., 3 figs., 4 tabs.
- OSTI ID:
- 7102236
- Journal Information:
- Journal of the Tennessee Academy of Science; (United States), Journal Name: Journal of the Tennessee Academy of Science; (United States) Vol. 64:1; ISSN JTASAG; ISSN 0040-313X
- Country of Publication:
- United States
- Language:
- English
Similar Records
Henry`s law constants of selected aromatic hydrocarbons, alcohols, and ketones
Temperature dependence of Henry's law constants of thirteen polycyclic aromatic hydrocarbons between 4 C and 31 C