Buch
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Elucidation of Chemical Reaction Pathways in Cementitious Materials
Abstract
The foremost objective of this research is to improve the fundamental knowledge of the early hydration mechanisms of Portland cement and the carbonation of the hydration product portlandite by the combinational approach of computer modeling and laboratory experiments. The approach started with an in-depth understanding of the dissolution mechanism of C3S and C2S immediately in contact with water and followed by the polymerization mechanism of silicates (the building block of C-S-H) under the influence of external parameters (i.e. temperature, Ca/Si ratio etc.), as a representative initial step of cement hydration kinetics. The model (ReaxFF combined with MetaD) enables an optimization of the C3S and C2S reactivity, which will allow an even further reduction of the clinker content in cementitious binders without loss of hydration performance. The proposed model will provide new insight into the initial hydration mechanism with an in-depth understanding.
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Zugleich: Dissertation, Universität Kassel, 2020Druckausgabe
Link zu kassel university press
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Citation
@book{doi:10.17170/kobra-202009211835,
author={Salah Uddin, K. M.},
title={Elucidation of Chemical Reaction Pathways in Cementitious Materials},
publisher={kassel university press},
year={2020}
}
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2050 ##0##http://hdl.handle.net/123456789/12407
3000 Salah Uddin, K. M.
4000 Elucidation of Chemical Reaction Pathways in Cementitious Materials / Salah Uddin, K. M.
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4204 \$dBuch
4170 Schriftenreihe Baustoffe und Massivbau - Structural Materials and Engineering Series ;; Heft 33
5550 {{Hydratisierung}}
5550 {{Portlandzement}}
5550 {{Auflösung}}
5550 {{Alit}}
5550 {{Reaktivität}}
5550 {{Molekulardynamik}}
5550 {{Freie Oberfläche}}
5550 {{Carbonatisierung}}
5550 {{Feuchtigkeit}}
7136 ##0##http://hdl.handle.net/123456789/12407
<resource xsi:schemaLocation="http://datacite.org/schema/kernel-2.2 http://schema.datacite.org/meta/kernel-2.2/metadata.xsd"> 2021-01-14T10:28:14Z 2021-01-14T10:28:14Z 2020 doi:10.17170/kobra-202009211835 http://hdl.handle.net/123456789/12407 Zugleich: Dissertation, Universität Kassel, 2020 eng kassel university press Namensnennung - Weitergabe unter gleichen Bedingungen 4.0 International http://creativecommons.org/licenses/by-sa/4.0/ Hydration mechanism of Portland Cement dissolution of C3S and C2S reactivity of different surfaces homogeneous nucleation molecular dynamic simulation Reactive Force Field theory (ReaxFF) metadynamics free energy surface carbonation mechanism of Portlandite relative humidity Hydratationsmechanismus von Portlandzement Auflösung von C3S und C2S Reaktivität verschiedener Oberflächen homogene Keimbildung Molekulardynamiksimulation Reaktive Kraftfeldtheorie (ReaxFF) Metadynamik Freie-Energie-Oberfläche Karbonatisierungsmechanismus von Portlandit relative Feuchte 500 690 Elucidation of Chemical Reaction Pathways in Cementitious Materials Buch The foremost objective of this research is to improve the fundamental knowledge of the early hydration mechanisms of Portland cement and the carbonation of the hydration product portlandite by the combinational approach of computer modeling and laboratory experiments. The approach started with an in-depth understanding of the dissolution mechanism of C3S and C2S immediately in contact with water and followed by the polymerization mechanism of silicates (the building block of C-S-H) under the influence of external parameters (i.e. temperature, Ca/Si ratio etc.), as a representative initial step of cement hydration kinetics. The model (ReaxFF combined with MetaD) enables an optimization of the C3S and C2S reactivity, which will allow an even further reduction of the clinker content in cementitious binders without loss of hydration performance. The proposed model will provide new insight into the initial hydration mechanism with an in-depth understanding. open access Salah Uddin, K. M. XV, 149 Seiten Schriftenreihe Baustoffe und Massivbau - Structural Materials and Engineering Series ;; Heft 33 Kassel, Universität Kassel, Fachbereich Bauingenieur- und Umweltingenieurwesen Middendorf, Bernhard (Prof. Dr.) Koenders, Eduardus (Prof. Dr.) Kassel 978-3-7376-0897-8 Hydratisierung Portlandzement Auflösung Alit Reaktivität Molekulardynamik Freie Oberfläche Carbonatisierung Feuchtigkeit publishedVersion Schriftenreihe Baustoffe und Massivbau - Structural Materials and Engineering Series Heft 33 true 39,00 Schriftenreihe Baustoffe und Massivbau - Structural Materials and Engineering Series Naturwissenschaft, Technik, Informatik, Medizin Dissertation FB 14 / Bauingenieur- und Umweltingenieurwesen Softcover DIN A5 </resource>
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