Nature of nonspecific interactions in gas-solid chromatography

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

“…(16) only improves accuracy to a r 2 value of 0.954. The predictive ability of the (14), (15), and (16) will be emphasized. …”

“…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].…”

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

“…Molar refractivity (MR) is related to the overall size of the electron cloud of a molecule and may be expressed as MR ϭ ͑4N␣/3͒, [12] where N is Avogadro's number and ␣ is the polarizability (31). In QSRR, molecular parameters are used to predict retention times in gas-solid interactions.…”

“…Fullerenes have been shown to be weakly polarizable and to possess some hydrogen bond basicity through the use of a chromatographic method with 22 solute gases and vapors (11). Good correlations have been made with polarizability to predict retention values of 5 gases on both an H-151 alumina column and Porasil C column at three different temperatures (12). Polarizability has been shown to be an important factor in predicting naphthalene, phenanthrene, and anthracene adsorption on graphite (13).…”

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

“…The roles of London dispersion forces and polarizability have been studied in inverse gas chromatography at infinite dilution (13). Investigations using gas chromatography have yielded insight into the interactions between gas molecules and solid surfaces, and polarizability has been examined in several studies (10,20,21). A nine-variable QSRR including both topological and molecular connectivity parameters has been developed to correlate experimental and calculated relative retention times for a set of 45 anabolic steroids (17).…”