{"title":"Accelerated carbonation fronts in cement pastes: Mechanistic insights and simplified modeling","authors":"Luge Cheng , Ryo Kurihara , Zhenli Yang , Takahiro Ohkubo , Ryoma Kitagaki , Atsushi Teramoto , Yuya Suda , Ippei Maruyama","doi":"10.1016/j.cemconres.2025.108050","DOIUrl":"10.1016/j.cemconres.2025.108050","url":null,"abstract":"<div><div>This study investigated the carbonation behavior of ordinary Portland cement (OPC), volcanic glass powder (VGP), and limestone-calcined clay cement (LC<sup>3</sup>) pastes, focusing on the water content distribution, phase assemblages, and microstructural evolution. Spatiotemporal changes in water and mineral phases were tracked using proton nuclear magnetic resonance relaxometry and micro-X-ray diffraction, respectively. A simplified model reproduced the drying front, defined by a material-specific threshold water content, which aligned closely with the experimentally measured carbonation front. This confirmed that carbonation progression is governed by water diffusion, referred to as the “plugging effect”. Furthermore, carbonation advanced until empty space increased to approximately 18 %, resulting from the decalcification-induced agglomeration of calcium (alumino) silicate hydrate (C–(A)–S–H). This limit was consistently observed across pastes with varying Ca/(Si + Al) ratios. These findings provide mechanistic insight into carbonation front development and offer a physically grounded criterion for predicting carbonation depth and assessing CO₂ uptake in sustainable cementitious materials.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"199 ","pages":"Article 108050"},"PeriodicalIF":13.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247354","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}
Marjorie Pons Pineyro , Florian R. Steindl , Isabel Galan , Augusto Cezar Maciel Soares , Florian Mittermayr
{"title":"How siderite (FeCO3) enhances the sulfate resistance of cementitious systems","authors":"Marjorie Pons Pineyro , Florian R. Steindl , Isabel Galan , Augusto Cezar Maciel Soares , Florian Mittermayr","doi":"10.1016/j.cemconres.2025.108010","DOIUrl":"10.1016/j.cemconres.2025.108010","url":null,"abstract":"<div><div>Siderite has recently emerged as a promising reactive SCM in Portland cement systems, with potential to enhance concrete durability. This study systematically investigates the resistance of siderite-containing mortars and pastes to external sulfate attack by evaluating both their expansion behavior and chemical stability in Na<sub>2</sub>SO<sub>4</sub> solutions. Microstructural, mineralogical, and chemical changes were thoroughly characterized. When used either as a fine aggregate or as a partial binder replacement (10–50 wt%), siderite significantly improved the sulfate resistance of OPC systems. Remarkably, OPC–FeCO<sub>3</sub> blends exhibited lower expansion than even highly sulfate-resistant cements such as C<sub>3</sub>A-free CEM I SR-0 and CEM III/B. This enhanced resistance is attributed to the partial consumption of portlandite, the stabilization of primary ettringite during hydration, and the formation of less expansive Fe-rich ettringite during sulfate exposure. Our findings highlight how highly relevant durability issues of OPC can be improved with readily available natural Fe carbonates.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"199 ","pages":"Article 108010"},"PeriodicalIF":13.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144830860","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":"Unravelling thermal conduction mechanisms in microwave-cured cement-based composites: Transform from phonon- to electron-based conduction channels driven by nano carbon black","authors":"Wangyang Xu , Dingqiang Fan , Rui Yu","doi":"10.1016/j.cemconres.2025.108013","DOIUrl":"10.1016/j.cemconres.2025.108013","url":null,"abstract":"<div><div>Microwave curing offers energy-efficient concrete treatment, but inherent thermal non-uniformity causes microstructural deterioration and potential explosion due to phonon-dominated thermal conduction. This study introduces nano carbon black (nCB) to construct electron-based conductive pathways for enhancing thermal uniformity, while clarifying the synergistic microwave-hydration mechanisms. The incorporation of nCB improved microwave absorption and constructed thermal channels within concrete, thereby promoting uniform heat distribution and increasing early-age strength by ∼70 %. Moreover, nCB-optimized microwave curing accelerated hydration, promoting C-S-H gel polymerization and modifying crystalline phases like ettringite and portlandite. Multiphysics simulations demonstrated that suitable nCB content enhanced microwave thermal conduction through constructed thermal channels, despite the inherent non-uniformity of electromagnetic fields. The dominant thermal conduction mechanism shifted from phonon- to electron-based conduction by incorporating nCB, driven by synergistic effects of dipole polarization, interfacial polarization, and conduction loss. This work offers a new strategy for optimizing microwave-curing behavior through nanoscale thermal design in cement-based composites.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"199 ","pages":"Article 108013"},"PeriodicalIF":13.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144865986","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}
Eduardo Duque-Redondo , Felipe Basquiroto de Souza , Guoqing Geng , Hegoi Manzano
{"title":"A critical review and perspectives on atomistic models of non-crystalline cementitious materials","authors":"Eduardo Duque-Redondo , Felipe Basquiroto de Souza , Guoqing Geng , Hegoi Manzano","doi":"10.1016/j.cemconres.2025.108067","DOIUrl":"10.1016/j.cemconres.2025.108067","url":null,"abstract":"<div><div>The use of atomic-scale modelling in the study of cement-related materials has grown steadily. However, the complexity of the systems under investigation and disparities in length and time scales between simulations and real-world processes, has hindered a clear demonstration of simulation-driven design of cement properties. The presence of multiple components, with intricate atomic and nanoscale structures and high degrees of amorphicity, makes the construction of realistic atomic-scale models the major challenge. This paper presents a critical review of state-of-the-art models of non-crystalline cementitious materials. Special attention is given to calcium silicate hydrate (C–S–H), where recent advances in bulk and interface models, disorder quantification, and novel formation mechanisms are assessed. The review also covers other key phases, including amorphous aluminosilicates, amorphous carbonates, and magnesium silicate hydrates (M–S–H). By outlining current methodologies and limitations, this work aims to inspire new approaches and tools for advancing predictive modelling of increasingly complex cementitious systems.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"199 ","pages":"Article 108067"},"PeriodicalIF":13.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145358520","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}
Taohua Ye , Jianzhuang Xiao , Zihan Zhou , Tongbo Sui
{"title":"Quantifying reactivity of secondary materials as cement substitutes: Modifications to strength activity index methodology","authors":"Taohua Ye , Jianzhuang Xiao , Zihan Zhou , Tongbo Sui","doi":"10.1016/j.cemconres.2025.108055","DOIUrl":"10.1016/j.cemconres.2025.108055","url":null,"abstract":"<div><div>Strength activity index (SAI) testing often serves as the benchmark for other reactivity tests, such as the rapid, relevant, and reliable (R<sup>3</sup>) test. However, the flaws in the SAI methodology compromise its accuracy. In this study, the SAI test is revisited and intensively modified by decoupling SCM physicochemical effects and mitigating the influence of SCM density and water sorption. The modified SAI test is validated using quartz powder (QP) and six secondary materials, including fly ash (FA), ground granulated blast furnace slag (GGBFS), recycled concrete powder (RCP), carbonated RCP (CRCP), and thermoactivated RCP (T650 and T750). The results of the modified SAI test closely align with those of the simplified R<sup>3</sup> test (R<sup>2</sup> > 0.90), confirming the reactivity ranking: GGBFS ≈ FA > T750 ≈ T650 > CRCP > RCP ≈ QP. Moreover, the application conditions of the modified SAI test are also identified. In summary, this study contributes to reliable reactivity quantification to support appropriate SCM utilization in cementitious systems.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"199 ","pages":"Article 108055"},"PeriodicalIF":13.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241524","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}
Yuxi Cai , Pan Feng , Xin Liu , Xuyan Shen , Barbara Lothenbach
{"title":"Simultaneous formation and decomposition of calcium silicate hydrate under carbonation in water","authors":"Yuxi Cai , Pan Feng , Xin Liu , Xuyan Shen , Barbara Lothenbach","doi":"10.1016/j.cemconres.2025.108021","DOIUrl":"10.1016/j.cemconres.2025.108021","url":null,"abstract":"<div><div>Carbonation curing captures CO<sub>2</sub> while rapidly gaining strength, as calcium silicate hydrate (C-S-H) precipitates and carbonates simultaneously. The simultaneous formation and decomposition of C-S-H under carbonation was investigated systematically in C-S-H suspensions at an initial pH of 13.5. Four distinct periods were observed: initial carbonation, rapid decomposition, slow ongoing and quasi-stable period. During the initial time, large quantities of C-S-H formed at maintained high pH, Subsequently, calcium in the liquid and C-S-H interlayer was consumed. With Ca/Si decreased to below 0.78, the rapid decomposition period proceeded with the decomposition of main layer, while silicate chains dissolved. Silica gel is formed in the slow ongoing period with pH < 11.0, which dominates with calcium carbonate in the quasi-stable period at a stable pH of 10, remaining small amount of residual C-S-H. Understanding the simultaneous formation and carbonation process of C-S-H contributes to understanding the microstructural evolution of cements during carbonation curing.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"199 ","pages":"Article 108021"},"PeriodicalIF":13.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144887310","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}
Amir Behravan , Cooper Davenport , Emily Spradley , B. Dulani Dhanapala , Bernard Kassner , Stephen Sharp , Alyson Daniels
{"title":"Influence of FRP rebar polymer matrix leachates on cement hydration and bond performance in FRP-reinforced concrete","authors":"Amir Behravan , Cooper Davenport , Emily Spradley , B. Dulani Dhanapala , Bernard Kassner , Stephen Sharp , Alyson Daniels","doi":"10.1016/j.cemconres.2025.108051","DOIUrl":"10.1016/j.cemconres.2025.108051","url":null,"abstract":"<div><div>Fiber-reinforced polymer (FRP) rebars are increasingly used in construction due to their advantages over conventional steel reinforcement. However, well-established standards and design codes for all FRP types remain limited. While most previous studies have focused on the mechanical bond between FRP rebars and concrete, this study provides a detailed investigation of how organic compounds leached from FRP rebars affect cement hydration kinetics and, consequently, bond performance. Ten different FRP rebars—including glass (GFRP), basalt (BFRP), and carbon (CFRP) types—were examined. Analytical techniques such as total organic carbon (TOC), ICP-MS, and FTIR confirmed the leaching of organic compounds from the rebars. Subsequent experiments using isothermal calorimetry, SEM, and mechanical testing assessed how these leachates influence cement hydration in the vicinity of the rebars. The results indicate that specific organic compounds from the polymer matrix can negatively affect hydration in the transition zone, reducing the quality of the interfacial bond between FRP rebars and the cementitious matrix. These findings highlight the importance of chemical interactions at the FRP–concrete interface and suggest that both improvements to the rebar surface and modifications to the concrete mixture should be considered. Given the variability among different FRP rebars, a single universal design guideline may not be sufficient for all products.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"199 ","pages":"Article 108051"},"PeriodicalIF":13.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145260811","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}
Tarek Ihaddadene, Jérôme Claverie, François Bignonnet, Ouali Amiri
{"title":"Diffusion and physicochemical behavior of chloride and sodium ions in C-S-H gel pores : A molecular dynamics investigation","authors":"Tarek Ihaddadene, Jérôme Claverie, François Bignonnet, Ouali Amiri","doi":"10.1016/j.cemconres.2025.108053","DOIUrl":"10.1016/j.cemconres.2025.108053","url":null,"abstract":"<div><div>Calcium silicate hydrate (C-S-H) gel is an amorphous material with a complex, disordered structure that complicates the understanding of its atomic-scale properties. While many studies have investigated ionic diffusion in C-S-H pores, the behavior of sodium ( <figure><img></figure> ) and chloride ( <figure><img></figure> ) ions, particularly in relation to the Ca/Si ratio, is not well understood. In this study, atomistic models of C-S-H were developed with varying Ca/Si ratios, pore sizes, and NaCl concentrations. Molecular dynamics simulations were used to calculate the self-diffusion profiles of <figure><img></figure> and <figure><img></figure> ions. Results indicate that pore size strongly affects diffusivity and adsorption through confinement and electrical double layer effects. The solid surface influences ionic mobility up to approximately 1.2 nm. The Ca/Si ratio has minimal impact on the diffusion profiles of non-adsorbed ions, but its rise enhances <figure><img></figure> mobility near the surface and increases chloride binding capacity, consistent with prior studies.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"199 ","pages":"Article 108053"},"PeriodicalIF":13.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216160","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":"Retardation mechanisms and microstructure evolution of triclinic tricalcium silicate induced by three different organic phosphonic acids","authors":"Xingdong Lv , Zhuofan Gao , Lu Yang , Fazhou Wang","doi":"10.1016/j.cemconres.2025.108041","DOIUrl":"10.1016/j.cemconres.2025.108041","url":null,"abstract":"<div><div>This paper investigated the inhibition effects and mechanisms of organic phosphonic acids (OPAs) with distinct functional groups on triclinic tricalcium silicate (C<sub>3</sub>S) clinker hydration. In particular, the effects of three representative OPAs, namely ATMP, HEDP, and PBTC on adsorption/complexation behavior, hydration products, and microstructure characteristics of C<sub>3</sub>S clinker were studied. OPAs retardation of the C<sub>3</sub>S clinker hydration was governed by synergistic interactions of electrostatic adsorption, and cationic complexation, potentially involving intermolecular self-polycondensation. ATMP primarily relied on Ca<sup>2+</sup> complexation through its [–C-PO(OH)<sub>2</sub>] groups, forming low-solubility precipitates that inhibited hydration. HEDP combined strong complexation with intermolecular self-polycondensation, driven by its [–C–PO(OH)<sub>2</sub>] and (–OH) groups, generating dense three-dimensional polymers that enhanced steric hindrance, while PBTC operated through surface adsorption and self-polycondensation. The revealed retardation efficiency hierarchy (HEDP > PBTC > ATMP) arose from functional group synergy: the maximal inhibition was provided by synergy of [–C–PO(OH)<sub>2</sub>] and (–OH) groups, a weaker one-by that of [–C–PO(OH)<sub>2</sub>] and (–COOH) groups, while isolated [–C–PO(OH)<sub>2</sub>] groups had the minimal retarding capacity.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"199 ","pages":"Article 108041"},"PeriodicalIF":13.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145060019","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}
Luis Schnürer, Henrik Eickhoff, Harald Hilbig, Alisa Machner
{"title":"Effect of the Al content and the Ca/Si ratio on the structure and reactivity of calcium aluminosilicate glasses used as model SCMs","authors":"Luis Schnürer, Henrik Eickhoff, Harald Hilbig, Alisa Machner","doi":"10.1016/j.cemconres.2025.108066","DOIUrl":"10.1016/j.cemconres.2025.108066","url":null,"abstract":"<div><div>Since the reactivity of SCMs is affected by different specific properties, it is crucial to understand their impact. This study, therefore, focuses on how the Al content and Ca/Si ratio affect the structure and reactivity of calcium aluminosilicate glasses. The glasses were synthesized amorphous in 2 series with Al contents ranging from 5 to 40 wt% (Ca/Si mass ratio = 1:1) and Ca/Si ratios ranging from 0.21 to 1.00 (Al<sub>2</sub>O<sub>3</sub> content = 15 wt%). Structural analysis by FTIR, <sup>27</sup>Al and <sup>29</sup>Si MAS NMR, and theoretical NBO/T calculations showed an increasing degree of polymerization with increasing Al content or decreasing Ca/Si ratio. The reactivity, examined by the R<sup>3</sup> test and in cement pastes, was less affected by the degree of polymerization but more by the Al content. These findings provide insights into the dependence of structure and composition on the reactivity of model SCMs that may help in the search for new SCM sources in the future.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"199 ","pages":"Article 108066"},"PeriodicalIF":13.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145358518","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}