{"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":"2026-02-01","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}
Jing Xie , Xuanhan Zhang , Xiang Hu , Zemei Wu , Caijun Shi
{"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":"2026-02-01","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}
Yanlin Huo , Dong Lu , Chun-ran Wu , Huayang Sun , Xiaoyu Han , Zhitao Chen , Yingzi Yang , Victor C. Li
{"title":"Micromechanical behavior of ECC/SHCC at severe cold temperatures: A comprehensive understanding of single fiber pullout","authors":"Yanlin Huo , Dong Lu , Chun-ran Wu , Huayang Sun , Xiaoyu Han , Zhitao Chen , Yingzi Yang , Victor C. Li","doi":"10.1016/j.cemconres.2025.108071","DOIUrl":"10.1016/j.cemconres.2025.108071","url":null,"abstract":"<div><div>Engineered cementitious composites (ECC) have previously been found to retain the strain-hardening property with a minimum strain of 2 % tensile ductility even at −60 °C. To examine this notable tensile behavior, pull-out tests were performed on polyethylene (PE) fibers with varying moisture contents, inclinations, and embedded lengths at temperatures ranging from 20 °C to −60 °C. The cold shrinkage and ice effects were identified and quantified as the main factors influencing single fiber pull-out behavior at subzero temperatures. Interfacial frictional bond, apparent fiber strength, snubbing coefficient, and fiber strength reduction coefficient were derived, forming the basis for a subzero-temperatures micromechanical model and the analyses of fiber crack-bridging behavior. Furthermore, the model was validated by comparison with experimental uniaxial tensile stress-strain relationships. This method is anticipated to provide fundamental insights into macroscopic tensile properties at subzero temperatures, aiding the design and application of ECC in cold region engineering.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"200 ","pages":"Article 108071"},"PeriodicalIF":13.1,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145383462","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}
Zihan Ma , Yi Jiang , Shunmin Xiao , Xiao Zhang , Qinglong Qin , Jiangshan Li , Peiliang Shen , Chi-Sun Poon
{"title":"pH-Dependent carbonation behavior of tricalcium aluminate","authors":"Zihan Ma , Yi Jiang , Shunmin Xiao , Xiao Zhang , Qinglong Qin , Jiangshan Li , Peiliang Shen , Chi-Sun Poon","doi":"10.1016/j.cemconres.2025.108100","DOIUrl":"10.1016/j.cemconres.2025.108100","url":null,"abstract":"<div><div>This study systematically investigates the enforced carbonation behavior of tricalcium aluminate (C<sub>3</sub>A) across a precisely controlled pH range of 5.8–12.5. The results indicate that C<sub>3</sub>A carbonation is thermodynamically spontaneous; its overall rate, reaction pathway, and phase assemblage are significantly influenced by solution pH. The accumulation rate of calcium carbonate (Cc) increases sharply below pH 11.0 and peaks at pH 9.5–10.0, where only 4.1 wt% of the initial C<sub>3</sub>A remains after 10 min of carbonation. Phase analysis reveals a distinct pH-dependent transition: CO<sub>3</sub><sup>2−</sup>-AFm dominates when pH > 11.0, whereas Cc is the primary product when pH < 11.0. Mechanistically, pH governs C<sub>3</sub>A carbonation via three coupled effects: (i) by modulating Al dissolution, it alters the aqueous Ca/Al ratio, thereby adjusting the relative supersaturation of Cc and CO<sub>3</sub><sup>2−</sup>-AFm; (ii) it determines the precipitation threshold of Al(OH)<sub>3</sub>, enabling dissolved Al(OH)<sub>4</sub><sup>−</sup> to react with nascent Cc and form CO<sub>3</sub><sup>2−</sup>-AFm; and (iii) at pH < 6, an Al-rich amorphous film rapidly forms on the surface, effectively halting further carbonation. These findings enhance our understanding of aluminate carbonation mechanisms in cementitious systems and provide insights into tailoring pH to optimize CO<sub>2</sub> uptake in cement.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"200 ","pages":"Article 108100"},"PeriodicalIF":13.1,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145619725","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}
Liang-yu Tong , Qing-feng Liu , Elke Gruyaert , Natalia Mariel Alderete , Qing-xiang Xiong , Nele De Belie
{"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":"2026-02-01","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}
Barbara Lothenbach , Ellina Bernard , Zeyu Zhou , Alexander German , Paula Montserrat-Torres , Frank Winnefeld
{"title":"Critical review of the properties of MgO - magnesium carbonate cements","authors":"Barbara Lothenbach , Ellina Bernard , Zeyu Zhou , Alexander German , Paula Montserrat-Torres , Frank Winnefeld","doi":"10.1016/j.cemconres.2025.108092","DOIUrl":"10.1016/j.cemconres.2025.108092","url":null,"abstract":"<div><div>MgO can be sourced from magnesium silicates or desalination brines with no direct CO<sub>2</sub> emissions from the raw materials. This paper critically reviews available literature on magnesium carbonate cements prepared from MgO, water and magnesium carbonates such as nesquehonite or hydromagnesite. Such MgO - magnesium carbonate cements develop high early strength due to the formation of hydrous carbonate-containing brucite (HCB), which incorporates both carbonate and H<sub>2</sub>O into its structure. Hydrated magnesium carbonate cements have a high potential to bind additional CO<sub>2</sub>. In the presence of SiO<sub>2</sub>, magnesium silicate hydrates (M-S-H) also form, which exhibit a high resistance to carbonation. The Mg/Si ratio governs the phase assemblage, as silica can react with HCB to form M-S-H. Magnesium carbonate and silicate hydrate cements have a pH value ranging from 10 to 11, demonstrate a high resistance to leaching, while the corrosion rate of steel rebars is comparable to PC.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"200 ","pages":"Article 108092"},"PeriodicalIF":13.1,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145598629","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":"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":"2026-02-01","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}
{"title":"Cohesion forces of limestone suspensions: Effects of adsorbed calcium ions, sulfate ions and polycarboxylate ethers","authors":"Dong Xie, Jianming Gao, Cheng Liu","doi":"10.1016/j.cemconres.2025.108070","DOIUrl":"10.1016/j.cemconres.2025.108070","url":null,"abstract":"<div><div>Limestone is widely used as a mineral admixture in cementitious systems, while the sources of cohesion within the limestone particle network remain unclear, especially in the early hydration stages where significant interactions between particle networks and hydration bonds have not yet developed. In this study, the mixed solutions containing calcium ions (Ca<sup>2+</sup>), sulfate ions (SO<sub>4</sub><sup>2−</sup>), and polycarboxylate ethers (PCE) are used to simulate the complex cementitious environment, and electrokinetic measurements and rheology are conducted to investigate the adsorption mechanisms and interparticle forces. The results indicate that Ca<sup>2+</sup> ions, strongly adsorbed onto the surface of limestone particles, acting as potential determining ions, are involved in the reconstruction of cohesive networks, conforming to the classic DLVO theory. In SO<sub>4</sub><sup>2−</sup>-regulated suspensions with variable ionic strength, the yield stress exhibits a strong linear correlation with the squared zeta potential. The spatial hindrance and electrostatic repulsion generated by PCE adsorption are weakened due to the competitive adsorption of SO<sub>4</sub><sup>2−</sup>, while positive charge sites on particle surface can be effectively supplemented by Ca<sup>2+</sup>, which mediate the adsorption of PCE and significantly reduce competition with SO<sub>4</sub><sup>2−</sup>.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"200 ","pages":"Article 108070"},"PeriodicalIF":13.1,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145360492","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}
Yue Zhang , Pan Feng , Runjie Li , Bo Liu , Lei Lei
{"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":"2026-02-01","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}
Jiaxin Liao , Jian Liu , Haocheng Zhao , Xiangming Kong , Zhongzhou Xu , Puyu Zhou
{"title":"Quantitative correlation of cement hydration, pore structure evolution and strength development of cement pastes with accelerators","authors":"Jiaxin Liao , Jian Liu , Haocheng Zhao , Xiangming Kong , Zhongzhou Xu , Puyu Zhou","doi":"10.1016/j.cemconres.2025.108094","DOIUrl":"10.1016/j.cemconres.2025.108094","url":null,"abstract":"<div><div>Shotcrete often exhibits lower strength after several days despite its rapid setting, primarily because accelerators interfere with cement hydration and microstructure development. This study investigates the effects of two typical accelerators—aluminium sulphate (AS) and sodium aluminate (NA)—on setting behaviour and early strength of cementitious materials. Isothermal calorimetry, XRD, and TGA were employed to characterize the hydration process, while low-field NMR (LF-NMR) was used to monitor pore structure evolution. The results show that increasing dosages of AS and NA proportionally reduces setting time while increasing the 12-h strength of cement mortars. At equivalent aluminium contents, NA is more effective than AS in setting acceleration. Within 3 days of curing, the mortars with AS exhibit consistently higher strength than the reference, whereas those with NA demonstrate the opposite comparison, although both AS and NA visibly accelerate C₃S hydration. AS promotes ettringite formation, while NA favours AFm and calcium aluminate hydrates. Based on the influence of porosity on strength, the pores measured by LF-NMR in hardened cement pastes (HCPs) are categorized as harmless pores including interlayer and gel pores of C–S–H, and harmful pores including interhydrate and capillary pores. AS decreases both total and harmful porosity in HCPs while increasing harmless porosity. In contrast, NA shows opposite trend, with total porosity remaining approximately unchanged. A semi-empirical model correlating mortar strength with harmless and harmful porosity is proposed to account for the effects of pore filling, interparticle binding of hydration products, and pore size distribution of HCPs on strength development.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"200 ","pages":"Article 108094"},"PeriodicalIF":13.1,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145645310","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}