Retention and heats of adsorption of n-alkanes, aromatic hydrocarbons, aliphatic alcohols and ketones on macroporous silicas

Predicting second gas–solid virial coefficients using calculated molecular properties on various carbon surfaces

“…Equations (11), (12), (14), (15), and (16) represent five possible QSRR equations that may provide ln B 2s correlations based on various combinations of surface parameters (A and E s ) and calculated molecular properties (MR, χ , and µ). MR, the molar refractivity, is a measure of the overall size of the electron cloud and the polarizability of a molecule [1].…”

“…(11), (12), and (14) through (18) in correlating experimental ln B 2s data for four different carbon surfaces will be examined.…”

Molar Refractivity and Connectivity Index Correlations for Henry's Law Virial Coefficients of Odorous Sulfur Compounds on Carbon and for Gas-Chromatographic Retention Indices

“…As discussed elsewhere (25), ln B 2s versus 1/T gives slopes that are equal to the E * values expressed in Kelvin. These 7 E * values were in turn correlated with MR values from Table 3 and the result was E * = 245.1MR − 2391.6 r 2 = 0.951, [18] which follows the form of Eq. [10].…”

“…In the current work, MR alone was able to account for a significant portion, 95%, of the E * variation (see Eq. [18]) and 96% of the ln B 2s variation (see Eq. [23]) of the thiol and thioether compounds investigated.…”

Correlations of Henry's Law Gas–Solid Virial Coefficients and Chromatographic Retention Times for Hydrocarbons and Halocarbons Adsorbed on Carbopack C Carbon

“…The nine descriptors used include both topological and molecular connectivity parameters (7). Retention volumes have been calculated from experimental retention times on S-80, S-120, and SX-3 silo-chrome adsorbents with n-alkanes, aromatic hydrocarbons, alcohols, and ketones (8).…”