Structural deterioration of calcium aluminosilicate hydrate by sulfate attack: Atomic processes of Al-Si chain breaking

Calcium-aluminosilicate-hydrates (C-A-S-H) is the major hydration product of sustainable concrete that incorporates industrial waste as a partial substitute for cement. Although C-A-S-H is considered a durable material, it’s susceptible to sulfate attack. To better understand this phenomenon, the at...
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Gespeichert in:

Autor*in:	Hou, Dongshuai [verfasserIn] Wang, Meng [verfasserIn] Sun, Huiwen [verfasserIn] Wang, Pan [verfasserIn] Zhang, Jun [verfasserIn] Wang, Muhan [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2023

Schlagwörter:	Supplementary Cementitious Materials C-A-S-H gel Sulfate-attack BOMD Electronic structural theory

Übergeordnetes Werk:	Enthalten in: Construction and building materials - Amsterdam [u.a.] : Elsevier Science, 1987, 401
Übergeordnetes Werk:	volume:401

DOI / URN:	10.1016/j.conbuildmat.2023.132867

Katalog-ID:	ELV062132156

Internformat


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245	1	0	\|a Structural deterioration of calcium aluminosilicate hydrate by sulfate attack: Atomic processes of Al-Si chain breaking
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520			\|a Calcium-aluminosilicate-hydrates (C-A-S-H) is the major hydration product of sustainable concrete that incorporates industrial waste as a partial substitute for cement. Although C-A-S-H is considered a durable material, it’s susceptible to sulfate attack. To better understand this phenomenon, the atomic process of sulfate attack on C-A-S-H was studied using semi-empirical quantum chemical methods. The results showed that sulfate attacks can be broken down into several subprocesses: adsorption, vibration, and breaking. The underlying causes of these processes were revealed through electronic structures, in which the weak AlO bond and strong electronegativity are the main factors leading to Al-Si breaking. The Atom in Molecular theory revealed that the weak electron localization of the [AlO4] tetrahedron leads to a lower water-assisted bond dissociated energy for breaking the AlO bond (18.3KJ/mol) than the SiO bond (109.4KJ/mol). This study provides valuable insights into the sulfate attack on C-A-S-H and its implications for improving the durability of sustainable concrete.
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650		4	\|a Sulfate-attack
650		4	\|a BOMD
650		4	\|a Electronic structural theory
700	1		\|a Wang, Meng \|e verfasserin \|4 aut
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700	1		\|a Zhang, Jun \|e verfasserin \|4 aut
700	1		\|a Wang, Muhan \|e verfasserin \|4 aut
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allfields	10.1016/j.conbuildmat.2023.132867 doi (DE-627)ELV062132156 (ELSEVIER)S0950-0618(23)02583-7 DE-627 ger DE-627 rda eng 690 VZ 56.45 bkl Hou, Dongshuai verfasserin (orcid)0000-0002-1252-2987 aut Structural deterioration of calcium aluminosilicate hydrate by sulfate attack: Atomic processes of Al-Si chain breaking 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Calcium-aluminosilicate-hydrates (C-A-S-H) is the major hydration product of sustainable concrete that incorporates industrial waste as a partial substitute for cement. Although C-A-S-H is considered a durable material, it’s susceptible to sulfate attack. To better understand this phenomenon, the atomic process of sulfate attack on C-A-S-H was studied using semi-empirical quantum chemical methods. The results showed that sulfate attacks can be broken down into several subprocesses: adsorption, vibration, and breaking. The underlying causes of these processes were revealed through electronic structures, in which the weak AlO bond and strong electronegativity are the main factors leading to Al-Si breaking. The Atom in Molecular theory revealed that the weak electron localization of the [AlO4] tetrahedron leads to a lower water-assisted bond dissociated energy for breaking the AlO bond (18.3KJ/mol) than the SiO bond (109.4KJ/mol). This study provides valuable insights into the sulfate attack on C-A-S-H and its implications for improving the durability of sustainable concrete. Supplementary Cementitious Materials C-A-S-H gel Sulfate-attack BOMD Electronic structural theory Wang, Meng verfasserin aut Sun, Huiwen verfasserin aut Wang, Pan verfasserin aut Zhang, Jun verfasserin aut Wang, Muhan verfasserin aut Enthalten in Construction and building materials Amsterdam [u.a.] : Elsevier Science, 1987 401 Online-Ressource (DE-627)320423115 (DE-600)2002804-0 (DE-576)259271187 nnns volume:401 GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 56.45 Baustoffkunde VZ AR 401
spelling	10.1016/j.conbuildmat.2023.132867 doi (DE-627)ELV062132156 (ELSEVIER)S0950-0618(23)02583-7 DE-627 ger DE-627 rda eng 690 VZ 56.45 bkl Hou, Dongshuai verfasserin (orcid)0000-0002-1252-2987 aut Structural deterioration of calcium aluminosilicate hydrate by sulfate attack: Atomic processes of Al-Si chain breaking 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Calcium-aluminosilicate-hydrates (C-A-S-H) is the major hydration product of sustainable concrete that incorporates industrial waste as a partial substitute for cement. Although C-A-S-H is considered a durable material, it’s susceptible to sulfate attack. To better understand this phenomenon, the atomic process of sulfate attack on C-A-S-H was studied using semi-empirical quantum chemical methods. The results showed that sulfate attacks can be broken down into several subprocesses: adsorption, vibration, and breaking. The underlying causes of these processes were revealed through electronic structures, in which the weak AlO bond and strong electronegativity are the main factors leading to Al-Si breaking. The Atom in Molecular theory revealed that the weak electron localization of the [AlO4] tetrahedron leads to a lower water-assisted bond dissociated energy for breaking the AlO bond (18.3KJ/mol) than the SiO bond (109.4KJ/mol). This study provides valuable insights into the sulfate attack on C-A-S-H and its implications for improving the durability of sustainable concrete. Supplementary Cementitious Materials C-A-S-H gel Sulfate-attack BOMD Electronic structural theory Wang, Meng verfasserin aut Sun, Huiwen verfasserin aut Wang, Pan verfasserin aut Zhang, Jun verfasserin aut Wang, Muhan verfasserin aut Enthalten in Construction and building materials Amsterdam [u.a.] : Elsevier Science, 1987 401 Online-Ressource (DE-627)320423115 (DE-600)2002804-0 (DE-576)259271187 nnns volume:401 GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 56.45 Baustoffkunde VZ AR 401
allfields_unstemmed	10.1016/j.conbuildmat.2023.132867 doi (DE-627)ELV062132156 (ELSEVIER)S0950-0618(23)02583-7 DE-627 ger DE-627 rda eng 690 VZ 56.45 bkl Hou, Dongshuai verfasserin (orcid)0000-0002-1252-2987 aut Structural deterioration of calcium aluminosilicate hydrate by sulfate attack: Atomic processes of Al-Si chain breaking 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Calcium-aluminosilicate-hydrates (C-A-S-H) is the major hydration product of sustainable concrete that incorporates industrial waste as a partial substitute for cement. Although C-A-S-H is considered a durable material, it’s susceptible to sulfate attack. To better understand this phenomenon, the atomic process of sulfate attack on C-A-S-H was studied using semi-empirical quantum chemical methods. The results showed that sulfate attacks can be broken down into several subprocesses: adsorption, vibration, and breaking. The underlying causes of these processes were revealed through electronic structures, in which the weak AlO bond and strong electronegativity are the main factors leading to Al-Si breaking. The Atom in Molecular theory revealed that the weak electron localization of the [AlO4] tetrahedron leads to a lower water-assisted bond dissociated energy for breaking the AlO bond (18.3KJ/mol) than the SiO bond (109.4KJ/mol). This study provides valuable insights into the sulfate attack on C-A-S-H and its implications for improving the durability of sustainable concrete. Supplementary Cementitious Materials C-A-S-H gel Sulfate-attack BOMD Electronic structural theory Wang, Meng verfasserin aut Sun, Huiwen verfasserin aut Wang, Pan verfasserin aut Zhang, Jun verfasserin aut Wang, Muhan verfasserin aut Enthalten in Construction and building materials Amsterdam [u.a.] : Elsevier Science, 1987 401 Online-Ressource (DE-627)320423115 (DE-600)2002804-0 (DE-576)259271187 nnns volume:401 GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 56.45 Baustoffkunde VZ AR 401
allfieldsGer	10.1016/j.conbuildmat.2023.132867 doi (DE-627)ELV062132156 (ELSEVIER)S0950-0618(23)02583-7 DE-627 ger DE-627 rda eng 690 VZ 56.45 bkl Hou, Dongshuai verfasserin (orcid)0000-0002-1252-2987 aut Structural deterioration of calcium aluminosilicate hydrate by sulfate attack: Atomic processes of Al-Si chain breaking 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Calcium-aluminosilicate-hydrates (C-A-S-H) is the major hydration product of sustainable concrete that incorporates industrial waste as a partial substitute for cement. Although C-A-S-H is considered a durable material, it’s susceptible to sulfate attack. To better understand this phenomenon, the atomic process of sulfate attack on C-A-S-H was studied using semi-empirical quantum chemical methods. The results showed that sulfate attacks can be broken down into several subprocesses: adsorption, vibration, and breaking. The underlying causes of these processes were revealed through electronic structures, in which the weak AlO bond and strong electronegativity are the main factors leading to Al-Si breaking. The Atom in Molecular theory revealed that the weak electron localization of the [AlO4] tetrahedron leads to a lower water-assisted bond dissociated energy for breaking the AlO bond (18.3KJ/mol) than the SiO bond (109.4KJ/mol). This study provides valuable insights into the sulfate attack on C-A-S-H and its implications for improving the durability of sustainable concrete. Supplementary Cementitious Materials C-A-S-H gel Sulfate-attack BOMD Electronic structural theory Wang, Meng verfasserin aut Sun, Huiwen verfasserin aut Wang, Pan verfasserin aut Zhang, Jun verfasserin aut Wang, Muhan verfasserin aut Enthalten in Construction and building materials Amsterdam [u.a.] : Elsevier Science, 1987 401 Online-Ressource (DE-627)320423115 (DE-600)2002804-0 (DE-576)259271187 nnns volume:401 GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 56.45 Baustoffkunde VZ AR 401
allfieldsSound	10.1016/j.conbuildmat.2023.132867 doi (DE-627)ELV062132156 (ELSEVIER)S0950-0618(23)02583-7 DE-627 ger DE-627 rda eng 690 VZ 56.45 bkl Hou, Dongshuai verfasserin (orcid)0000-0002-1252-2987 aut Structural deterioration of calcium aluminosilicate hydrate by sulfate attack: Atomic processes of Al-Si chain breaking 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Calcium-aluminosilicate-hydrates (C-A-S-H) is the major hydration product of sustainable concrete that incorporates industrial waste as a partial substitute for cement. Although C-A-S-H is considered a durable material, it’s susceptible to sulfate attack. To better understand this phenomenon, the atomic process of sulfate attack on C-A-S-H was studied using semi-empirical quantum chemical methods. The results showed that sulfate attacks can be broken down into several subprocesses: adsorption, vibration, and breaking. The underlying causes of these processes were revealed through electronic structures, in which the weak AlO bond and strong electronegativity are the main factors leading to Al-Si breaking. The Atom in Molecular theory revealed that the weak electron localization of the [AlO4] tetrahedron leads to a lower water-assisted bond dissociated energy for breaking the AlO bond (18.3KJ/mol) than the SiO bond (109.4KJ/mol). This study provides valuable insights into the sulfate attack on C-A-S-H and its implications for improving the durability of sustainable concrete. Supplementary Cementitious Materials C-A-S-H gel Sulfate-attack BOMD Electronic structural theory Wang, Meng verfasserin aut Sun, Huiwen verfasserin aut Wang, Pan verfasserin aut Zhang, Jun verfasserin aut Wang, Muhan verfasserin aut Enthalten in Construction and building materials Amsterdam [u.a.] : Elsevier Science, 1987 401 Online-Ressource (DE-627)320423115 (DE-600)2002804-0 (DE-576)259271187 nnns volume:401 GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 56.45 Baustoffkunde VZ AR 401
language	English
source	Enthalten in Construction and building materials 401 volume:401
sourceStr	Enthalten in Construction and building materials 401 volume:401
format_phy_str_mv	Article
bklname	Baustoffkunde
institution	findex.gbv.de
topic_facet	Supplementary Cementitious Materials C-A-S-H gel Sulfate-attack BOMD Electronic structural theory
dewey-raw	690
isfreeaccess_bool	false
container_title	Construction and building materials
authorswithroles_txt_mv	Hou, Dongshuai @@aut@@ Wang, Meng @@aut@@ Sun, Huiwen @@aut@@ Wang, Pan @@aut@@ Zhang, Jun @@aut@@ Wang, Muhan @@aut@@
publishDateDaySort_date	2023-01-01T00:00:00Z
hierarchy_top_id	320423115
dewey-sort	3690
id	ELV062132156
language_de	englisch
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author	Hou, Dongshuai
spellingShingle	Hou, Dongshuai ddc 690 bkl 56.45 misc Supplementary Cementitious Materials misc C-A-S-H gel misc Sulfate-attack misc BOMD misc Electronic structural theory Structural deterioration of calcium aluminosilicate hydrate by sulfate attack: Atomic processes of Al-Si chain breaking
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topic_title	690 VZ 56.45 bkl Structural deterioration of calcium aluminosilicate hydrate by sulfate attack: Atomic processes of Al-Si chain breaking Supplementary Cementitious Materials C-A-S-H gel Sulfate-attack BOMD Electronic structural theory
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title	Structural deterioration of calcium aluminosilicate hydrate by sulfate attack: Atomic processes of Al-Si chain breaking
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title_full	Structural deterioration of calcium aluminosilicate hydrate by sulfate attack: Atomic processes of Al-Si chain breaking
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title_sort	structural deterioration of calcium aluminosilicate hydrate by sulfate attack: atomic processes of al-si chain breaking
title_auth	Structural deterioration of calcium aluminosilicate hydrate by sulfate attack: Atomic processes of Al-Si chain breaking
abstract	Calcium-aluminosilicate-hydrates (C-A-S-H) is the major hydration product of sustainable concrete that incorporates industrial waste as a partial substitute for cement. Although C-A-S-H is considered a durable material, it’s susceptible to sulfate attack. To better understand this phenomenon, the atomic process of sulfate attack on C-A-S-H was studied using semi-empirical quantum chemical methods. The results showed that sulfate attacks can be broken down into several subprocesses: adsorption, vibration, and breaking. The underlying causes of these processes were revealed through electronic structures, in which the weak AlO bond and strong electronegativity are the main factors leading to Al-Si breaking. The Atom in Molecular theory revealed that the weak electron localization of the [AlO4] tetrahedron leads to a lower water-assisted bond dissociated energy for breaking the AlO bond (18.3KJ/mol) than the SiO bond (109.4KJ/mol). This study provides valuable insights into the sulfate attack on C-A-S-H and its implications for improving the durability of sustainable concrete.
abstractGer	Calcium-aluminosilicate-hydrates (C-A-S-H) is the major hydration product of sustainable concrete that incorporates industrial waste as a partial substitute for cement. Although C-A-S-H is considered a durable material, it’s susceptible to sulfate attack. To better understand this phenomenon, the atomic process of sulfate attack on C-A-S-H was studied using semi-empirical quantum chemical methods. The results showed that sulfate attacks can be broken down into several subprocesses: adsorption, vibration, and breaking. The underlying causes of these processes were revealed through electronic structures, in which the weak AlO bond and strong electronegativity are the main factors leading to Al-Si breaking. The Atom in Molecular theory revealed that the weak electron localization of the [AlO4] tetrahedron leads to a lower water-assisted bond dissociated energy for breaking the AlO bond (18.3KJ/mol) than the SiO bond (109.4KJ/mol). This study provides valuable insights into the sulfate attack on C-A-S-H and its implications for improving the durability of sustainable concrete.
abstract_unstemmed	Calcium-aluminosilicate-hydrates (C-A-S-H) is the major hydration product of sustainable concrete that incorporates industrial waste as a partial substitute for cement. Although C-A-S-H is considered a durable material, it’s susceptible to sulfate attack. To better understand this phenomenon, the atomic process of sulfate attack on C-A-S-H was studied using semi-empirical quantum chemical methods. The results showed that sulfate attacks can be broken down into several subprocesses: adsorption, vibration, and breaking. The underlying causes of these processes were revealed through electronic structures, in which the weak AlO bond and strong electronegativity are the main factors leading to Al-Si breaking. The Atom in Molecular theory revealed that the weak electron localization of the [AlO4] tetrahedron leads to a lower water-assisted bond dissociated energy for breaking the AlO bond (18.3KJ/mol) than the SiO bond (109.4KJ/mol). This study provides valuable insights into the sulfate attack on C-A-S-H and its implications for improving the durability of sustainable concrete.
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title_short	Structural deterioration of calcium aluminosilicate hydrate by sulfate attack: Atomic processes of Al-Si chain breaking
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author2	Wang, Meng Sun, Huiwen Wang, Pan Zhang, Jun Wang, Muhan
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up_date	2024-07-06T18:26:36.514Z
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Structural deterioration of calcium aluminosilicate hydrate by sulfate attack: Atomic processes of Al-Si chain breaking

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