Pub Date : 2025-11-19DOI: 10.1016/j.cemconres.2025.108091
Xiao Xu , Shijie Wang , Haifeng Qin , Zhiqiang Zhao , Zheyong Fan , Zhuhua Zhang , Hang Yin
Tobermorite and Calcium Silicate Hydrate (C-S-H) systems are indispensable cement materials but still lack a satisfactory interatomic potential with both high accuracy and high computational efficiency for better understanding their mechanical performance. Here, we develop a Neuroevolution Machine Learning Potential (NEP) with Ziegler-Biersack-Littmark hybrid framework for tobermorite and C-S-H systems, which conveys unprecedented efficiency in molecular dynamics simulations with substantially reduced training datasets. Our NEP model achieves prediction accuracy comparable to DFT calculations using just around 400 training structures, significantly fewer than other existing machine learning potentials trained for tobermorite. Critically, the GPU-accelerated NEP computations enable scalable simulations of large tobermorite systems, reaching several thousand atoms per GPU card with high efficiency. We demonstrate the NEP's versatility by accurately predicting mechanical properties, phonon density of states, and thermal conductivity of tobermorite. Furthermore, we extend the NEP application to large-scale simulations of amorphous C-S-H, highlighting its potential for comprehensive analysis of structural and mechanical behaviors under various realistic conditions.
{"title":"A high-efficiency neuroevolution potential for tobermorite and calcium silicate hydrate systems with ab initio accuracy","authors":"Xiao Xu , Shijie Wang , Haifeng Qin , Zhiqiang Zhao , Zheyong Fan , Zhuhua Zhang , Hang Yin","doi":"10.1016/j.cemconres.2025.108091","DOIUrl":"10.1016/j.cemconres.2025.108091","url":null,"abstract":"<div><div>Tobermorite and Calcium Silicate Hydrate (C-S-H) systems are indispensable cement materials but still lack a satisfactory interatomic potential with both high accuracy and high computational efficiency for better understanding their mechanical performance. Here, we develop a Neuroevolution Machine Learning Potential (NEP) with Ziegler-Biersack-Littmark hybrid framework for tobermorite and C-S-H systems, which conveys unprecedented efficiency in molecular dynamics simulations with substantially reduced training datasets. Our NEP model achieves prediction accuracy comparable to DFT calculations using just around 400 training structures, significantly fewer than other existing machine learning potentials trained for tobermorite. Critically, the GPU-accelerated NEP computations enable scalable simulations of large tobermorite systems, reaching several thousand atoms per GPU card with high efficiency. We demonstrate the NEP's versatility by accurately predicting mechanical properties, phonon density of states, and thermal conductivity of tobermorite. Furthermore, we extend the NEP application to large-scale simulations of amorphous C-S-H, highlighting its potential for comprehensive analysis of structural and mechanical behaviors under various realistic conditions.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"200 ","pages":"Article 108091"},"PeriodicalIF":13.1,"publicationDate":"2025-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145554904","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Introducing metakaolin and sodium water glass (silicate modulus – 2.8, density – 1100...1250 kg/m3) to ordinary portland cement (OPC) caused fundamental changes to the hydration products, forming ones from Na₂O-CaO-SiO₂-Al₂O₃-H₂O system and enhancing heat resistance. The setting times of metakaolin-containing alkali-activated portland cement were rather short. The increased heat resistance of this cement compared to OPC was shown, which is due to no rehydration of CaO, formed during the dehydration of Ca(OH)2, and recrystallization of zeolite-like phase of hydronepheline Na2O·Al2O3·2SiO2·2H2O into nepheline Na2O·Al2O3·2SiO2 without structural destruction. The recrystallization of C-A-S-H phases during sintering into gehlenite 2CaO·Al2O3·SiO2 contributed to a higher structure fragmentation while its self-reinforcement. These processes resulted in an increase in residual strength to 58.6…122.1 %. The mortar based on the designed cement was characterized by compressive strength ≥30 MPa, residual strength ≥70 %, and thermal shrinkage ≤5 % at temperatures up to 1000 °C.
引进偏高岭土和水玻璃钠(硅酸盐模量- 2.8,密度- 1100…1250 kg/m3)转化为普通硅酸盐水泥(OPC),使水化产物发生根本性变化,形成Na₂- cao - sio₂-Al₂O₃-H₂O体系水化产物,提高了耐热性。偏高岭土碱活化硅酸盐水泥的凝结时间较短。与OPC相比,该水泥的耐热性有所提高,这是由于Ca(OH)2脱水过程中形成的CaO没有再水化,并且水辉石Na2O·Al2O3·2SiO2·2H2O的沸石样相重结晶为霞辉石Na2O·Al2O3·2SiO2而没有结构破坏。在烧结成2CaO·Al2O3·SiO2的过程中,C-A-S-H相的再结晶导致了较高的结构破碎和自增强。这些工艺使残余强度提高到58.6% ~ 122.1%。设计的水泥砂浆在高达1000℃的温度下,抗压强度≥30 MPa,残余强度≥70%,热收缩≤5%。
{"title":"Development of metakaolin-enhanced alkali-activated portland cement for high-temperature applications","authors":"Pavlo Kryvenko , Igor Rudenko , Oleksandr Konstantynovskyi , Vladyslav Onatii","doi":"10.1016/j.cemconres.2025.108088","DOIUrl":"10.1016/j.cemconres.2025.108088","url":null,"abstract":"<div><div>Introducing metakaolin and sodium water glass (silicate modulus – 2.8, density <em>–</em> 1100...1250 kg/m<sup>3</sup>) to ordinary portland cement (OPC) caused fundamental changes to the hydration products, forming ones from Na₂O-CaO-SiO₂-Al₂O₃-H₂O system and enhancing heat resistance. The setting times of metakaolin-containing alkali-activated portland cement were rather short. The increased heat resistance of this cement compared to OPC was shown, which is due to no rehydration of CaO, formed during the dehydration of Ca(OH)<sub>2</sub>, and recrystallization of zeolite-like phase of hydronepheline Na<sub>2</sub>O·Al<sub>2</sub>O<sub>3</sub>·2SiO<sub>2</sub>·2H<sub>2</sub>O into nepheline Na<sub>2</sub>O·Al<sub>2</sub>O<sub>3</sub>·2SiO<sub>2</sub> without structural destruction. The recrystallization of C-A-S-H phases during sintering into gehlenite 2CaO·Al<sub>2</sub>O<sub>3</sub>·SiO<sub>2</sub> contributed to a higher structure fragmentation while its self-reinforcement. These processes resulted in an increase in residual strength to 58.6…122.1 %. The mortar based on the designed cement was characterized by compressive strength ≥30 MPa, residual strength ≥70 %, and thermal shrinkage ≤5 % at temperatures up to 1000 °C.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"200 ","pages":"Article 108088"},"PeriodicalIF":13.1,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145536224","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-14DOI: 10.1016/j.cemconres.2025.108087
Jing Xie , Xuanhan Zhang , Xiang Hu , Zemei Wu , Caijun Shi
This study comprehensively investigates the mechanism by which temperature (5–40 °C) affects the air bubble behavior in belite-rich cement (BRC), comparing with portland cement (PC) system. Key factors, including surface tension, ionic strength, internal matrix temperature, viscosity, and cement particle-bubble/SDS interactions, were analyzed. Bubble generation efficiency in pore solution was enhanced with temperature due to reduced surface tension and increased ionic strength. Relational degree between initial bubble volume and ionic strength (0.8938) was higher than that with surface tension (0.7018) in pore solution. A “critical temperature” (CT) governed bubble drainage, coalescence, and Ostwald ripening. For BRC concrete, increasing temperature below CT of 26 °C enhanced bubble stability by strengthening viscosity and particle-bubble interactions, thereby lowering spacing factor. Above CT, excessive heat caused bubble expansion/rupture, increasing spacing factor. Notably, as indicated by its higher CT, BRC exhibited inferior low-temperature (≤12 °C) stability compared to PC but superior high-temperature stability.
{"title":"Insights into the temperature effect on air bubble behavior in belite-rich cement systems","authors":"Jing Xie , Xuanhan Zhang , Xiang Hu , Zemei Wu , Caijun Shi","doi":"10.1016/j.cemconres.2025.108087","DOIUrl":"10.1016/j.cemconres.2025.108087","url":null,"abstract":"<div><div>This study comprehensively investigates the mechanism by which temperature (5–40 °C) affects the air bubble behavior in belite-rich cement (BRC), comparing with portland cement (PC) system. Key factors, including surface tension, ionic strength, internal matrix temperature, viscosity, and cement particle-bubble/SDS interactions, were analyzed. Bubble generation efficiency in pore solution was enhanced with temperature due to reduced surface tension and increased ionic strength. Relational degree between initial bubble volume and ionic strength (0.8938) was higher than that with surface tension (0.7018) in pore solution. A “critical temperature” (CT) governed bubble drainage, coalescence, and Ostwald ripening. For BRC concrete, increasing temperature below CT of 26 °C enhanced bubble stability by strengthening viscosity and particle-bubble interactions, thereby lowering spacing factor. Above CT, excessive heat caused bubble expansion/rupture, increasing spacing factor. Notably, as indicated by its higher CT, BRC exhibited inferior low-temperature (≤12 °C) stability compared to PC but superior high-temperature stability.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"200 ","pages":"Article 108087"},"PeriodicalIF":13.1,"publicationDate":"2025-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145509624","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-11DOI: 10.1016/j.cemconres.2025.108084
Liang-yu Tong , Qing-feng Liu , Elke Gruyaert , Natalia Mariel Alderete , Qing-xiang Xiong , Nele De Belie
Replacement of ordinary Portland cement (OPC) by blast-furnace slag (BFS) modifies the durability behaviour of concrete. Combined with the experimental tests, this study proposes a comprehensive framework for modelling carbonation in BFS concrete, integrating hydration, transport-reactive, and diffusivity predictive modules. The framework enables synchronized iterations between chemical reaction modelling and transport processes considering microstructural evolution over time. Each module is validated against prior experimental data, including the volume fraction of hydration products, trend-based diffusivities and carbonation depths. Compared with model that neglect microstructural evolution, this framework, which considers altered compositional profiles after hydration and dynamically adjusts transport properties in response to microstructural changes during carbonation, yields higher predictive accuracy. Results indicate that carbonation resistance in BFS concrete improves with extended curing durations due to more complete hydration and a denser microstructure. Conversely, higher BFS replacement levels reduce the concrete's CO₂ buffering capacity and increase gas diffusivity after carbonation, finally accelerating carbonation. Parametric analysis further identifies an optimal relative humidity range for BFS concrete at approximately 30 %–60 %, and rising CO₂ concentrations increase carbonation depth. This innovative approach not only improves the accuracy of carbonation predictions but also serves as a valuable tool for optimizing the durability and hence sustainability of BFS-based construction materials.
{"title":"Experimental and numerical study on carbonation of blast-furnace slag concrete considering the microstructural evolution","authors":"Liang-yu Tong , Qing-feng Liu , Elke Gruyaert , Natalia Mariel Alderete , Qing-xiang Xiong , Nele De Belie","doi":"10.1016/j.cemconres.2025.108084","DOIUrl":"10.1016/j.cemconres.2025.108084","url":null,"abstract":"<div><div>Replacement of ordinary Portland cement (OPC) by blast-furnace slag (BFS) modifies the durability behaviour of concrete. Combined with the experimental tests, this study proposes a comprehensive framework for modelling carbonation in BFS concrete, integrating hydration, transport-reactive, and diffusivity predictive modules. The framework enables synchronized iterations between chemical reaction modelling and transport processes considering microstructural evolution over time. Each module is validated against prior experimental data, including the volume fraction of hydration products, trend-based diffusivities and carbonation depths. Compared with model that neglect microstructural evolution, this framework, which considers altered compositional profiles after hydration and dynamically adjusts transport properties in response to microstructural changes during carbonation, yields higher predictive accuracy. Results indicate that carbonation resistance in BFS concrete improves with extended curing durations due to more complete hydration and a denser microstructure. Conversely, higher BFS replacement levels reduce the concrete's CO₂ buffering capacity and increase gas diffusivity after carbonation, finally accelerating carbonation. Parametric analysis further identifies an optimal relative humidity range for BFS concrete at approximately 30 %–60 %, and rising CO₂ concentrations increase carbonation depth. This innovative approach not only improves the accuracy of carbonation predictions but also serves as a valuable tool for optimizing the durability and hence sustainability of BFS-based construction materials.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"200 ","pages":"Article 108084"},"PeriodicalIF":13.1,"publicationDate":"2025-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145485705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-06DOI: 10.1016/j.cemconres.2025.108085
Yangrui Li , Yanfei Yue , Jueshi Qian , Yun Bai
The hydration inertness of ternesite (C5S2Š) is the primary barrier to the promotion of Ternesite-Ye'elimite Cement (TYC). This study investigated the potential of iron-doped calcium aluminates to activate the hydration of TYC systems, with particular focus on their roles in enhancing the reactivity of C5S2Š. Three types of calcium aluminates, viz. orthorhombic ye'elimite (C4A3Š), iron-doped cubic ye'elimite (C4(A,F)3Š) and ferrite (C4AF), as well as C5S2Š were synthesized in the laboratory. These four minerals, and three blends formulated by mixing each calcium aluminate with C5S2Š, were mixed with water to obtain a total of seven paste mixtures. Their hydration processes were examined using ICC, XRD, FT-IR, TG, and pore solution chemistry analysis to elucidate the influence of iron-doped calcium aluminates (C4(A,F)3Š and C4AF) on the hydration reactivity of C5S2Š and the corresponding mechanisms. Results show that C4(A,F)3Š significantly enhanced the hydration reactivity of C5S2Š by providing reactive amorphous (A,F)H3 to consume gypsum from the hydration of C5S2Š. Evidently, iron doping exhibited a gypsum-like acceleration effect on the hydration of C5S2Š + C4(A,F)3Š system, albeit through a distinct chemical pathway. However, C4AF demonstrated quite limited effect on the C5S2Š + C4AF system, due to the gradual formation of a gel layer on the C4AF surface that restricted further hydration.
{"title":"Can iron-doped calcium aluminates activate ternesite hydration?","authors":"Yangrui Li , Yanfei Yue , Jueshi Qian , Yun Bai","doi":"10.1016/j.cemconres.2025.108085","DOIUrl":"10.1016/j.cemconres.2025.108085","url":null,"abstract":"<div><div>The hydration inertness of ternesite (C<sub>5</sub>S<sub>2</sub>Š) is the primary barrier to the promotion of Ternesite-Ye'elimite Cement (TYC). This study investigated the potential of iron-doped calcium aluminates to activate the hydration of TYC systems, with particular focus on their roles in enhancing the reactivity of C<sub>5</sub>S<sub>2</sub>Š. Three types of calcium aluminates, viz. orthorhombic ye'elimite (C<sub>4</sub>A<sub>3</sub>Š), iron-doped cubic ye'elimite (C<sub>4</sub>(A,F)<sub>3</sub>Š) and ferrite (C<sub>4</sub>AF), as well as C<sub>5</sub>S<sub>2</sub>Š were synthesized in the laboratory. These four minerals, and three blends formulated by mixing each calcium aluminate with C<sub>5</sub>S<sub>2</sub>Š, were mixed with water to obtain a total of seven paste mixtures. Their hydration processes were examined using ICC, XRD, FT-IR, TG, and pore solution chemistry analysis to elucidate the influence of iron-doped calcium aluminates (C<sub>4</sub>(A,F)<sub>3</sub>Š and C<sub>4</sub>AF) on the hydration reactivity of C<sub>5</sub>S<sub>2</sub>Š and the corresponding mechanisms. Results show that C<sub>4</sub>(A,F)<sub>3</sub>Š significantly enhanced the hydration reactivity of C<sub>5</sub>S<sub>2</sub>Š by providing reactive amorphous (A,F)H<sub>3</sub> to consume gypsum from the hydration of C<sub>5</sub>S<sub>2</sub>Š. Evidently, iron doping exhibited a gypsum-like acceleration effect on the hydration of C<sub>5</sub>S<sub>2</sub>Š + C<sub>4</sub>(A,F)<sub>3</sub>Š system, albeit through a distinct chemical pathway. However, C<sub>4</sub>AF demonstrated quite limited effect on the C<sub>5</sub>S<sub>2</sub>Š + C<sub>4</sub>AF system, due to the gradual formation of a gel layer on the C<sub>4</sub>AF surface that restricted further hydration.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"200 ","pages":"Article 108085"},"PeriodicalIF":13.1,"publicationDate":"2025-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145447421","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-03DOI: 10.1016/j.cemconres.2025.108072
Guangqi Xiong , Zheng Fang , Yuanliang Ren , Xiaolong Jia , Hongkuang Luo , Jiaxin Yang , Bo Ran , Shuai Zhou , Chong Wang
To address the limitations of conventional vibration in removing microbubbles from cement paste, this study introduces power ultrasound as a novel defoaming technology and investigates its effectiveness and mechanism. Experiments conducted at a water-to-cement ratio of 0.50, with or without air-entraining agents, and demonstrated that ultrasound treatment effectively eliminated microbubbles, as confirmed by 1H NMR and FBRM analyses. Compared to controls, treated batches exhibited increases in compressive strength of 17.1 % and 7.3 % at 3 days, and 6.8 % and 3.8 % at 28 days. Modeling indicates that bubbles move towards the pressure node once ultrasound is applied, and whether bubble coalescence occurs is primarily governed by the secondary Bjerknes force. Coalesced bubbles will then rise due to increased buoyancy. These findings highlight the significant potential of power ultrasound as an innovative and efficient defoaming technology for cement-based materials, offering improved microstructure and mechanical performance.
{"title":"A novel defoaming technology for cement paste by using power ultrasound treatment","authors":"Guangqi Xiong , Zheng Fang , Yuanliang Ren , Xiaolong Jia , Hongkuang Luo , Jiaxin Yang , Bo Ran , Shuai Zhou , Chong Wang","doi":"10.1016/j.cemconres.2025.108072","DOIUrl":"10.1016/j.cemconres.2025.108072","url":null,"abstract":"<div><div>To address the limitations of conventional vibration in removing microbubbles from cement paste, this study introduces power ultrasound as a novel defoaming technology and investigates its effectiveness and mechanism. Experiments conducted at a water-to-cement ratio of 0.50, with or without air-entraining agents, and demonstrated that ultrasound treatment effectively eliminated microbubbles, as confirmed by <sup>1</sup>H NMR and FBRM analyses. Compared to controls, treated batches exhibited increases in compressive strength of 17.1 % and 7.3 % at 3 days, and 6.8 % and 3.8 % at 28 days. Modeling indicates that bubbles move towards the pressure node once ultrasound is applied, and whether bubble coalescence occurs is primarily governed by the secondary Bjerknes force. Coalesced bubbles will then rise due to increased buoyancy. These findings highlight the significant potential of power ultrasound as an innovative and efficient defoaming technology for cement-based materials, offering improved microstructure and mechanical performance.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"200 ","pages":"Article 108072"},"PeriodicalIF":13.1,"publicationDate":"2025-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145434840","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Dynamic dissection of a sustainable cement alternative: A multiscale exploration of alkali-activated slag dissolution mechanisms","authors":"Jiazhi Huang , Baomin Wang","doi":"10.1016/j.cemconres.2025.108074","DOIUrl":"10.1016/j.cemconres.2025.108074","url":null,"abstract":"<div><div>The cement industry, contributing 8 % of global CO₂ emissions primarily through Ordinary Portland Cement (OPC) production (∼0.8–1.0 t CO₂/t), urgently requires low-carbon alternatives. This study elucidates atomic-scale dissolution mechanisms in alkali-activated ground granulated blast furnace slag (AAS) via integrated experimental-computational analysis. First-principles simulations of 412-atom GGBS models reveal Ca<sup>2+</sup>/Mg<sup>2+</sup> leaching initiates through non-bridging oxygen bond cleavage (ICOHP = -0.18–0.58 eV), while Al<sup>3+</sup>/Si<sup>4+</sup> release follows oligomer-mediated pathways. Quantum mechanics/molecular mechanics (QM/MM) calculations quantify bond-breaking energy barriers (Al-O-Al: 5.26 < Si-O-Al: 15.51 < Si-O-Si: 38.93 kcal/mol), governed by frontier orbital energy gaps (ΔE = 1.53–2.03 eV). Reactive molecular dynamics (MD) simulations identify three dissolution stages: Na<sup>+</sup>-assisted ion leaching (0–1 ns, D = 3.40 × 10<sup>−7</sup> m<sup>2</sup>/s), Al-O/Si-O network depolymerization (1–7 ns), and Ca-mediated calcium aluminosilicate hydrate (C-A-S-H) nucleation (7–30 ns). By modulating electronic structures to target these mechanisms, we achieve a 63 % carbon reduction compared to OPC. These findings establish design principles for next-generation GGBS-based cementitious materials, enabling scalable, low-carbon construction solutions with performance parity to conventional cement.</div><div><strong>Synopsis</strong></div><div>By transforming waste materials into valuable resources and reducing carbon emissions, we are paving the way for a more sustainable future.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"200 ","pages":"Article 108074"},"PeriodicalIF":13.1,"publicationDate":"2025-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145404945","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The multi-scale pore structure of cement-based materials (CBMs) holds the key to understanding their performance. Most traditional test methods, such as mercury intrusion porosimetry, require pre-drying, which significantly alters the nanoscale pore structure of CBMs. Although proton NMR transverse relaxometry works well for white CBMs, it fails for Portland CBMs due to the ambiguous effect of Fe2O3. To circumvent this effect, an improved longitudinal relaxometry is established based on a newly proposed method to determine longitudinal surface relaxivity. Experimental results show that the longitudinal relaxometry helps measure the porosities of white and Portland cement mortars (WMs and PMs) with good accuracy. The longitudinal surface relaxivity of PMs was measured as 1.84–2.10 nm/ms, which is comparable to the transverse relaxivity of WMs. According to these obtained pore size distribution curves of water-saturated mortars, their predicted water permeabilities agree well with experimentally measured values, which effectively validates the proposed longitudinal relaxometry.
{"title":"Characterizing pore structure of white and ordinary Portland cement mortars with proton NMR longitudinal relaxometry","authors":"Jing Qiao , Yun Zhang , Huaming Liang , Jiangfeng Guo , Chunsheng Zhou","doi":"10.1016/j.cemconres.2025.108073","DOIUrl":"10.1016/j.cemconres.2025.108073","url":null,"abstract":"<div><div>The multi-scale pore structure of cement-based materials (CBMs) holds the key to understanding their performance. Most traditional test methods, such as mercury intrusion porosimetry, require pre-drying, which significantly alters the nanoscale pore structure of CBMs. Although proton NMR transverse relaxometry works well for white CBMs, it fails for Portland CBMs due to the ambiguous effect of Fe<sub>2</sub>O<sub>3</sub>. To circumvent this effect, an improved longitudinal relaxometry is established based on a newly proposed method to determine longitudinal surface relaxivity. Experimental results show that the longitudinal relaxometry helps measure the porosities of white and Portland cement mortars (WMs and PMs) with good accuracy. The longitudinal surface relaxivity of PMs was measured as 1.84–2.10 nm/ms, which is comparable to the transverse relaxivity of WMs. According to these obtained pore size distribution curves of water-saturated mortars, their predicted water permeabilities agree well with experimentally measured values, which effectively validates the proposed longitudinal relaxometry.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"200 ","pages":"Article 108073"},"PeriodicalIF":13.1,"publicationDate":"2025-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145383463","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-10-28DOI: 10.1016/j.cemconres.2025.108068
Yue Zhang , Pan Feng , Runjie Li , Bo Liu , Lei Lei
Alkali-activated slag (AAS) using Na2CO3 or Na2SiO3 offers less corrosive alternatives to NaOH activation but suffers from severe workability limitations. To address this, we propose calcium supplementation strategy to counteract activator anion-induced Ca2+ depletion, the primary cause of polycarboxylate superplasticizer (PCE) dispersion failure. Through assessment of workability, hydration kinetics and strength development, the compatible PCE was identified as AA-7HPEG4.5. The optimal calcium supplementation was determined to be a molar ratio of 0.75 (Ca2+/CO32−) for the Na2CO3-AAS system and 1:1 (Ca2+/SiO32−) for the Na2SiO3-AAS system. These ratios achieved an optimal balance between workability requirements and mechanical performance. It is hypothesized that this mitigation strategy may extend to other PCEs capable of operating in Na2CO3 or Na2SiO3 systems, provided their dispersing power in NaOH-AAS remains sufficient. However, this extrapolation is pending further experimental validation.
{"title":"A mitigation strategy to improve workability of Na2CO3 or Na2SiO3 activated slag system: Supplementation of calcium salt","authors":"Yue Zhang , Pan Feng , Runjie Li , Bo Liu , Lei Lei","doi":"10.1016/j.cemconres.2025.108068","DOIUrl":"10.1016/j.cemconres.2025.108068","url":null,"abstract":"<div><div>Alkali-activated slag (AAS) using Na<sub>2</sub>CO<sub>3</sub> or Na<sub>2</sub>SiO<sub>3</sub> offers less corrosive alternatives to NaOH activation but suffers from severe workability limitations. To address this, we propose calcium supplementation strategy to counteract activator anion-induced Ca<sup>2+</sup> depletion, the primary cause of polycarboxylate superplasticizer (PCE) dispersion failure. Through assessment of workability, hydration kinetics and strength development, the compatible PCE was identified as AA-7HPEG4.5. The optimal calcium supplementation was determined to be a molar ratio of 0.75 (Ca<sup>2+</sup>/CO<sub>3</sub><sup>2−</sup>) for the Na<sub>2</sub>CO<sub>3</sub>-AAS system and 1:1 (Ca<sup>2+</sup>/SiO<sub>3</sub><sup>2−</sup>) for the Na<sub>2</sub>SiO<sub>3</sub>-AAS system. These ratios achieved an optimal balance between workability requirements and mechanical performance. It is hypothesized that this mitigation strategy may extend to other PCEs capable of operating in Na<sub>2</sub>CO<sub>3</sub> or Na<sub>2</sub>SiO<sub>3</sub> systems, provided their dispersing power in NaOH-AAS remains sufficient. However, this extrapolation is pending further experimental validation.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"200 ","pages":"Article 108068"},"PeriodicalIF":13.1,"publicationDate":"2025-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145383459","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-10-27DOI: 10.1016/j.cemconres.2025.108065
Lupesh Dudi, Shashank Bishnoi
Experiments were performed to study the corrosion kinetics of steel in carbonated Portland cement (PC) and four low-clinker binder (clinker replaced with fly-ash, slag, and calcined clay) mortars equilibrated at various relative humidity conditions. The results show that moisture content is the primary factor controlling the corrosion kinetics across all binder compositions, while pore structure connectivity and pore solution composition in carbonated binders are additional factors contributing to the higher corrosion rate observed in the low-clinker binders. In comparison to the PC, low-clinker binders have a higher and ratios (due to lower hydroxide ion concentration and release of chlorides and sulfates on carbonation), along with greater porosity and pore connectivity due to coarsening of pore structure after carbonation. Furthermore, the mechanism of corrosion rate-resistivity linear relationship in different carbonated binder compositions is explained based on corrosion rate per unit moisture content, pore solution compositions, and microstructure parameters.
{"title":"Moisture content as controlling mechanism behind corrosion rate of steel in carbonated low-clinker binders","authors":"Lupesh Dudi, Shashank Bishnoi","doi":"10.1016/j.cemconres.2025.108065","DOIUrl":"10.1016/j.cemconres.2025.108065","url":null,"abstract":"<div><div>Experiments were performed to study the corrosion kinetics of steel in carbonated Portland cement (PC) and four low-clinker binder (clinker replaced with fly-ash, slag, and calcined clay) mortars equilibrated at various relative humidity conditions. The results show that moisture content is the primary factor controlling the corrosion kinetics across all binder compositions, while pore structure connectivity and pore solution composition in carbonated binders are additional factors contributing to the higher corrosion rate observed in the low-clinker binders. In comparison to the PC, low-clinker binders have a higher <span><math><mfenced><mrow><mi>C</mi><msup><mi>l</mi><mo>−</mo></msup></mrow></mfenced><mo>/</mo><mfenced><mrow><mi>O</mi><msup><mi>H</mi><mo>−</mo></msup></mrow></mfenced></math></span> and <span><math><mfenced><mrow><mi>S</mi><msubsup><mi>O</mi><mn>4</mn><mrow><mn>2</mn><mo>−</mo></mrow></msubsup></mrow></mfenced><mo>/</mo><mfenced><mrow><mi>O</mi><msup><mi>H</mi><mo>−</mo></msup></mrow></mfenced></math></span> ratios (due to lower hydroxide ion concentration and release of chlorides and sulfates on carbonation), along with greater porosity and pore connectivity due to coarsening of pore structure after carbonation. Furthermore, the mechanism of corrosion rate-resistivity linear relationship in different carbonated binder compositions is explained based on corrosion rate per unit moisture content, pore solution compositions, and microstructure parameters.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"200 ","pages":"Article 108065"},"PeriodicalIF":13.1,"publicationDate":"2025-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145383466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}