Adsorption of Oleic Acid on Silica Gel Derived from Rice Ash Hulls: Experimental and Theoretical Studies

Adsorption of Oleic Acid on Silica Gel Derived from Rice Ash Hulls: Experimental and Theoretical Studies

Experimental and quantum chemical calculations have been used to study the adsorption of oleic acid on silica gel derived from rice ash hulls. Characterization of the gel showed that it had a BET specific surface area of 131.7 m 2 /g and a point of zero charge (pzc) at a pH value of 3. A maximum cap...

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Main Authors: Asem A. Atia, Ahmed M. El-Nahas, Asmaa M. Marie, Laila D. Al Mahdy
Format: Article
Language:English
Published: Hindawi - SAGE Publishing 2006-11-01
Series:Adsorption Science & Technology
Online Access:https://doi.org/10.1260/026361706781388978
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spelling doaj-4002b79e58734be8abab6b6f6d8399172021-03-02T07:22:48ZengHindawi - SAGE PublishingAdsorption Science & Technology0263-61742048-40382006-11-012410.1260/026361706781388978Adsorption of Oleic Acid on Silica Gel Derived from Rice Ash Hulls: Experimental and Theoretical StudiesAsem A. Atia0Ahmed M. El-Nahas1Asmaa M. Marie2Laila D. Al Mahdy3 Chemistry Department, Faculty of Science, El-Menoufia University, Shebin El-Kom, Egypt Chemistry Department, Faculty of Science, El-Menoufia University, Shebin El-Kom, Egypt Food Technology Research Institute, Agricultural Research Center, Cairo, Egypt Food Technology Research Institute, Agricultural Research Center, Cairo, EgyptExperimental and quantum chemical calculations have been used to study the adsorption of oleic acid on silica gel derived from rice ash hulls. Characterization of the gel showed that it had a BET specific surface area of 131.7 m 2 /g and a point of zero charge (pzc) at a pH value of 3. A maximum capacity of 0.70 mmol/g was obtained for the adsorption of oleic acid onto the gel at 301 K. The free energy of adsorption, ΔG 0 301 K , was determined as −23.1 kJ/mol. The interaction of propanoic and butanoic acids as models for oleic acid with bare, mono- and di-hydrated silanol has been investigated using B3LYP and CBS-QB3 levels of theory. The dihydrated silanol model gave a ΔG 0 301 K value of −24 kJ/mol at the CBS-QB3 level which is in perfect agreement with the experimental value quoted above.https://doi.org/10.1260/026361706781388978
collection DOAJ
language English
format Article
sources DOAJ
author Asem A. Atia
Ahmed M. El-Nahas
Asmaa M. Marie
Laila D. Al Mahdy
spellingShingle Asem A. Atia
Ahmed M. El-Nahas
Asmaa M. Marie
Laila D. Al Mahdy
Adsorption of Oleic Acid on Silica Gel Derived from Rice Ash Hulls: Experimental and Theoretical Studies
Adsorption Science & Technology
author_facet Asem A. Atia
Ahmed M. El-Nahas
Asmaa M. Marie
Laila D. Al Mahdy
author_sort Asem A. Atia
title Adsorption of Oleic Acid on Silica Gel Derived from Rice Ash Hulls: Experimental and Theoretical Studies
title_short Adsorption of Oleic Acid on Silica Gel Derived from Rice Ash Hulls: Experimental and Theoretical Studies
title_full Adsorption of Oleic Acid on Silica Gel Derived from Rice Ash Hulls: Experimental and Theoretical Studies
title_fullStr Adsorption of Oleic Acid on Silica Gel Derived from Rice Ash Hulls: Experimental and Theoretical Studies
title_full_unstemmed Adsorption of Oleic Acid on Silica Gel Derived from Rice Ash Hulls: Experimental and Theoretical Studies
title_sort adsorption of oleic acid on silica gel derived from rice ash hulls: experimental and theoretical studies
publisher Hindawi - SAGE Publishing
series Adsorption Science & Technology
issn 0263-6174
2048-4038
publishDate 2006-11-01
description Experimental and quantum chemical calculations have been used to study the adsorption of oleic acid on silica gel derived from rice ash hulls. Characterization of the gel showed that it had a BET specific surface area of 131.7 m 2 /g and a point of zero charge (pzc) at a pH value of 3. A maximum capacity of 0.70 mmol/g was obtained for the adsorption of oleic acid onto the gel at 301 K. The free energy of adsorption, ΔG 0 301 K , was determined as −23.1 kJ/mol. The interaction of propanoic and butanoic acids as models for oleic acid with bare, mono- and di-hydrated silanol has been investigated using B3LYP and CBS-QB3 levels of theory. The dihydrated silanol model gave a ΔG 0 301 K value of −24 kJ/mol at the CBS-QB3 level which is in perfect agreement with the experimental value quoted above.
url https://doi.org/10.1260/026361706781388978
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