Kinetics of alkoxysilanes hydrolysis: An empirical approach
<p>Alkoxysilanes and organoalkoxysilanes are primary materials in several industries, e.g. coating, anti-corrosion treatment, fabrication of stationary phase for chromatography, and coupling agents. The hydrolytic polycondensation reactions and final product can be controlled by adjusting the...
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| المؤلف الرئيسي: | |
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| مؤلفون آخرون: | , |
| منشور في: |
2019
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| الموضوعات: | |
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| _version_ | 1864513554519949312 |
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| author | Ahmed A. Issa (14152791) |
| author2 | Marwa El-Azazy (14152794) Adriaan S. Luyt (14152341) |
| author2_role | author author |
| author_facet | Ahmed A. Issa (14152791) Marwa El-Azazy (14152794) Adriaan S. Luyt (14152341) |
| author_role | author |
| dc.creator.none.fl_str_mv | Ahmed A. Issa (14152791) Marwa El-Azazy (14152794) Adriaan S. Luyt (14152341) |
| dc.date.none.fl_str_mv | 2019-11-26T00:00:00Z |
| dc.identifier.none.fl_str_mv | 10.1038/s41598-019-54095-0 |
| dc.relation.none.fl_str_mv | https://figshare.com/articles/journal_contribution/Kinetics_of_alkoxysilanes_hydrolysis_An_empirical_approach/21598137 |
| dc.rights.none.fl_str_mv | CC BY 4.0 info:eu-repo/semantics/openAccess |
| dc.subject.none.fl_str_mv | Engineering Chemical engineering Materials engineering Alkoxysilanes Organoalkoxysilanes Hydrolytic Polycondensation Reaction Mechanisms Catalysis Solvent Properties |
| dc.title.none.fl_str_mv | Kinetics of alkoxysilanes hydrolysis: An empirical approach |
| dc.type.none.fl_str_mv | Text Journal contribution info:eu-repo/semantics/publishedVersion text contribution to journal |
| description | <p>Alkoxysilanes and organoalkoxysilanes are primary materials in several industries, e.g. coating, anti-corrosion treatment, fabrication of stationary phase for chromatography, and coupling agents. The hydrolytic polycondensation reactions and final product can be controlled by adjusting the hydrolysis reaction, which was investigated under a variety of conditions, such as different alkoxysilanes, solvents, and catalysts by using gas chromatography. The hydrolysis rate of alkoxysilanes shows a dependence on the alkoxysilane structure (especially the organic attachments), solvent properties, and the catalyst dissociation constant and solubility. Some of the alkoxysilanes exhibit intramolecular catalysis. Hydrogen bonding plays an important role in the enhancement of the hydrolysis reaction, as well as the dipole moment of the alkoxysilanes, especially in acetonitrile. There is a relationship between the experimentally calculated polarity by the Taft equation and the reactivity, but it shows different responses depending on the solvent. It was found that negative and positive charges are respectively accumulated in the transition state in alkaline and acidic media. The reaction mechanisms are somewhat different from those previously suggested. Finally, it was found that enthalpy–entropy compensation (EEC) effect and isokinetic relationships (IKR) are exhibited during the hydrolysis of CTES in different solvents and catalysts; therefore, the reaction has a linear free energy relationship (LFER).</p><h2>Other Information</h2> <p> Published in: Scientific Reports<br> License: <a href="https://creativecommons.org/licenses/by/4.0" target="_blank">https://creativecommons.org/licenses/by/4.0</a><br>See article on publisher's website: <a href="http://dx.doi.org/10.1038/s41598-019-54095-0" target="_blank">http://dx.doi.org/10.1038/s41598-019-54095-0</a></p> |
| eu_rights_str_mv | openAccess |
| id | Manara2_31528122a5ddfba1c87713872c9a9943 |
| identifier_str_mv | 10.1038/s41598-019-54095-0 |
| network_acronym_str | Manara2 |
| network_name_str | Manara2 |
| oai_identifier_str | oai:figshare.com:article/21598137 |
| publishDate | 2019 |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| rights_invalid_str_mv | CC BY 4.0 |
| spelling | Kinetics of alkoxysilanes hydrolysis: An empirical approachAhmed A. Issa (14152791)Marwa El-Azazy (14152794)Adriaan S. Luyt (14152341)EngineeringChemical engineeringMaterials engineeringAlkoxysilanesOrganoalkoxysilanesHydrolytic PolycondensationReaction MechanismsCatalysisSolvent Properties<p>Alkoxysilanes and organoalkoxysilanes are primary materials in several industries, e.g. coating, anti-corrosion treatment, fabrication of stationary phase for chromatography, and coupling agents. The hydrolytic polycondensation reactions and final product can be controlled by adjusting the hydrolysis reaction, which was investigated under a variety of conditions, such as different alkoxysilanes, solvents, and catalysts by using gas chromatography. The hydrolysis rate of alkoxysilanes shows a dependence on the alkoxysilane structure (especially the organic attachments), solvent properties, and the catalyst dissociation constant and solubility. Some of the alkoxysilanes exhibit intramolecular catalysis. Hydrogen bonding plays an important role in the enhancement of the hydrolysis reaction, as well as the dipole moment of the alkoxysilanes, especially in acetonitrile. There is a relationship between the experimentally calculated polarity by the Taft equation and the reactivity, but it shows different responses depending on the solvent. It was found that negative and positive charges are respectively accumulated in the transition state in alkaline and acidic media. The reaction mechanisms are somewhat different from those previously suggested. Finally, it was found that enthalpy–entropy compensation (EEC) effect and isokinetic relationships (IKR) are exhibited during the hydrolysis of CTES in different solvents and catalysts; therefore, the reaction has a linear free energy relationship (LFER).</p><h2>Other Information</h2> <p> Published in: Scientific Reports<br> License: <a href="https://creativecommons.org/licenses/by/4.0" target="_blank">https://creativecommons.org/licenses/by/4.0</a><br>See article on publisher's website: <a href="http://dx.doi.org/10.1038/s41598-019-54095-0" target="_blank">http://dx.doi.org/10.1038/s41598-019-54095-0</a></p>2019-11-26T00:00:00ZTextJournal contributioninfo:eu-repo/semantics/publishedVersiontextcontribution to journal10.1038/s41598-019-54095-0https://figshare.com/articles/journal_contribution/Kinetics_of_alkoxysilanes_hydrolysis_An_empirical_approach/21598137CC BY 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/215981372019-11-26T00:00:00Z |
| spellingShingle | Kinetics of alkoxysilanes hydrolysis: An empirical approach Ahmed A. Issa (14152791) Engineering Chemical engineering Materials engineering Alkoxysilanes Organoalkoxysilanes Hydrolytic Polycondensation Reaction Mechanisms Catalysis Solvent Properties |
| status_str | publishedVersion |
| title | Kinetics of alkoxysilanes hydrolysis: An empirical approach |
| title_full | Kinetics of alkoxysilanes hydrolysis: An empirical approach |
| title_fullStr | Kinetics of alkoxysilanes hydrolysis: An empirical approach |
| title_full_unstemmed | Kinetics of alkoxysilanes hydrolysis: An empirical approach |
| title_short | Kinetics of alkoxysilanes hydrolysis: An empirical approach |
| title_sort | Kinetics of alkoxysilanes hydrolysis: An empirical approach |
| topic | Engineering Chemical engineering Materials engineering Alkoxysilanes Organoalkoxysilanes Hydrolytic Polycondensation Reaction Mechanisms Catalysis Solvent Properties |