Gibbs Ensemble Monte-Carlo simulations were performed to study the absorption of water and 1-butanol on the (111)-face of β-crystobalite and on a model amorphous silica surface to gain information on the differences in the adsorptive properties of ordered and disordered silica surfaces and to evaluate their contribution to retention in gas-liquid chromatography. Both crystalline and amorphous silica were very favorable substrates for water and 1-butanol and the adsorption led to the formation of multiple hydrogen bonds in all cases. A moderate preference for adsorption on crystobalite was observed. This is an abstract of a paper presented at the 227th ACS National Meeting (Anaheim, CA 3/28/2004-4/1/2004).
|Original language||English (US)|
|Title of host publication||ACS National Meeting Book of Abstracts|
|State||Published - 2004|
|Event||227th ACS National Meeting Abstracts of Papers - Anaheim, CA., United States|
Duration: Mar 28 2004 → Apr 1 2004
|Other||227th ACS National Meeting Abstracts of Papers|
|Period||3/28/04 → 4/1/04|