| Title: | Volatile organic compound adsorption on a nonporous silica surface: how do different probe molecules sense the same surface? |
| Author(s): | Herdes C; Carrott MM; Russo PA; Carrott PJ; |
| Address: | "Centro de Quimica de Evora, Universidade de Evora, 7000-671 Evora, Portugal. cherdes@uevora.pt" |
| ISSN/ISBN: | 1520-5827 (Electronic) 0743-7463 (Linking) |
| Abstract: | "In this work, we compare experimental results to molecular simulation results of volatile organic compound (VOC) adsorption on nonporous silica. We adopted an effective model for the rough solid surface, obtained by a temperature annealing scheme, plus an experimental/simulation nitrogen adsorption tuning process over the silica energetic oxygen parameter. The measurement/prediction of selected VOCs, specifically, n-pentane and methylcyclohexane, is presented in terms of adsorption isotherms, with an emphasis on the angle distribution analysis of the three studied probe molecules with respect to the same modeled surface" |
| Keywords: | "Adsorption Air Pollution/*prevention & control Cyclohexanes/*chemistry/metabolism Models, Chemical *Models, Molecular Nitrogen/chemistry Oxygen/chemistry Pentanes/*chemistry/metabolism Silicon Dioxide/*chemistry/metabolism Surface Properties Temperature V;" |
| Notes: | "MedlineHerdes, Carmelo Carrott, M Manuela L Ribeiro Russo, Patricia A Carrott, Peter J M eng Research Support, Non-U.S. Gov't 2011/11/09 Langmuir. 2011 Dec 20; 27(24):14940-6. doi: 10.1021/la203370c. Epub 2011 Nov 22" |
