Abstract
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 |
Volume | 227 |
Edition | 1 |
State | Published - 2004 |
Event | 227th ACS National Meeting Abstracts of Papers - Anaheim, CA., United States Duration: Mar 28 2004 → Apr 1 2004 |
Other
Other | 227th ACS National Meeting Abstracts of Papers |
---|---|
Country/Territory | United States |
City | Anaheim, CA. |
Period | 3/28/04 → 4/1/04 |