基于反应传输模型的水泥浆体碳化-水化协同作用研究

doi:10.3969/j.issn.1674-0696.2026.09.06

摘要/Abstract

摘要： 在碳矿化反应过程中，碳化反应与水化反应共同决定了整体进程和效率。为了揭示水泥浆体碳化-水化协同作用机制，通过考虑化学反应动力学过程、CO2传输与水分迁移行为，构建了适用于水泥浆体碳矿化研究的反应传输模型，在与实验结果对比验证的基础上，研究了水饱和度对CO2吸收率以及预养护时间对反应物相分布和反应动力学的影响。研究结果表明：当初始水饱和度介于0.70~0.80时，CO2吸收率出现了最大值；随着预养护时间增大，水泥熟料的反应比例减小，而水化产物的反应占比增加，生成的CaCO3含量呈现先上升后下降的变化趋势且钙离子主要来源于C3S和CH，碳矿化进程也由CO2在水中扩散控制转为体系中可用钙离子数量控制。

关键词: 道路工程；建筑材料工程；水泥基材料；碳矿化；碳化-水化反应；反应传输模型

Abstract: During carbon mineralization process, carbonation reaction and hydration reaction jointly determine the overall process and efficiency. In order to reveal the synergistic mechanism of carbonation and hydration reactions of cement paste, a reactive transport model suitable for the study of carbon mineralization of cement paste was constructed by considering chemical reaction kinetics procedure, CO2 transport and water migration behavior. Based on the comparison and verification with experimental results, the effects of water saturation on CO2 absorption rate and pre-curing time on reactant phase distribution and reaction kinetics were studied accordingly. The research results show that the CO2 absorption rate reaches its maximum value when initial water saturation degree is set to 0.70-0.80. As pre-curing time gradually goes up, the reaction proportion of cement clinker decreases, while the reaction proportion of hydration products increases. The generated CaCO3 content shows a trend of first increasing and then decreasing, and the calcium ions mainly come from C3S and CH. Meanwhile, the process of carbon mineralization has also shifted from being controlled by the diffusion of CO2 in water to being controlled by the amount of available calcium ions in the system.

Key words: highway engineering; construction material engineering; cement-based material; carbon mineralization; carbonation-hydration reaction; reactive transport model

中图分类号:

U414
TU528

李凯，顾文龙. 基于反应传输模型的水泥浆体碳化-水化协同作用研究[J]. 重庆交通大学学报（自然科学版）, 2026, 45(9): 48-59.

Li Kai, Gu Wenlong. Synergistic effect of carbonation-hydration of cement paste based on reactive transport model[J]. Journal of Chongqing Jiaotong University(Natural Science), 2026, 45(9): 48-59.

/ 推荐

参考文献

［1］ Qin Qinglong, Su Boyang, Ma Zihan, et al. Investigation of mechanical properties and damage characterization of cement pastes prepared by coupled carbonation-hydration curing［J］. Cement and Concrete Composites, 2025, 160: 106049.
［2］Liang Chaofeng, Li Binglin, Guo Mingzhi, et al. Effects of early-age carbonation curing on the properties of cement-based materials: a review［J］. Journal of Building Engineering, 2024, 84: 108495.
［3］史才军, 何平平, 涂贞军, 等. 预养护对二氧化碳养护混凝土过程及显微结构的影响［J］. 硅酸盐学报, 2014, 42(8): 996-1004.
Shi Caijun, He Pingping, Tu Zhenjun, et al. Effect of pre-conditioning on process and microstructure of carbon dioxide cured concrete［J］. Journal of the Chinese Ceramic Society, 2014, 42(8): 996-1004.
［4］温和, 张晓翔, 顾磊, 等. 低热水泥钢渣砂浆碳化-水化协同机制与微观结构演化［J］. 硅酸盐通报, 2026, 45(2): 562-572.
Wen He, Zhang Xiaoxiang, Gu Lei, et al. Synergistic carbonation-hydration mechanisms and microstructural evolution in low-heat cement and steel slag mortars［J］. Bulletin of the Chinese Ceramic Society, 2026, 45(2): 562-572.
［5］Guo Zhao, Wang Yali, Pei Tianrui, et al. Effect of different hydration-carbonation processes on the reaction degree of cement［J］. Construction and Building Materials, 2024, 451: 138743.
［6］Mi Renjie, Pan Ganghua, Shen Qizhen. Carbonation modelling for cement-based materials considering influences of aggregate and interfacial transition zone［J］. Construction and Building Materials, 2019, 229: 116925.
［7］Liu Peng, Yu Zhiwu, Chen Ying. Carbonation depth model and carbonated acceleration rate of concrete under different environment［J］. Cement and Concrete Composites, 2020, 114: 103736.
［8］Zhang Guoyi, Tian Ye, Tian Zushi, et al. Role of ITZ and aggregates in concrete carbonation: multiscale-coupled modeling and experimental validation［J］. Journal of Building Engineering, 2025, 112: 113900.
［9］张建忠, 周星妤, 林学春, 等. 东南沿海大气环境下桥梁混凝土碳化深度预测模型修正［J］. 重庆交通大学学报(自然科学版), 2026, 45(1): 15-22.
Zhang Jianzhong, Zhou Xingyu, Lin Xuechun, et al. Modification of prediction model for carbonization depth of bridge concrete under southeastern coastal atmospheric environment［J］. Journal of Chong-qing Jiaotong University (Natural Science), 2026, 45(1): 15-22.
［10］Peter M A, Muntean A, Meier S A, et al. Competition of several carbonation reactions in concrete: a parametric study［J］. Cement and Concrete Research, 2008, 38(12): 1385-1393.
［11］Chen Tiefeng, Gao Xiaojian, Qin Ling. Mathematical modeling of accelerated carbonation curing of Portland cement paste at early age［J］. Cement and Concrete Research, 2019, 120: 187-197.
［12］Delmi M M Y, A1¨t-Mokhtar A, Amiri O. Modelling the coupled evolution of hydration and porosity of cement-based materials［J］. Construction and Building Materials, 2006, 20(7): 504-514.
［13］Kashef-Haghighi S, Shao Yixin, Ghoshal S. Mathematical modeling of CO2 uptake by concrete during accelerated carbonation curing［J］. Cement and Concrete Research, 2015, 67: 1-10.
［14］Phung Q T, Maes N, Jacques D, et al. Modelling the carbonation of cement pastes under a CO2 pressure gradient considering both diffusive and convective transport［J］. Construction and Building Materials, 2016, 114: 333-351.
［15］Yue Zengliang, Dhandapani Y, Provis J L, et al. A reactive-transport framework to model carbonation performance of a hardened cement: the case of alkali-sulfate slag cement pastes［J］. Cement and Concrete Research, 2025, 197: 107961.
［16］Elsalamawy M, Mohamed A R, Kamal E M. The role of relative humidity and cement type on carbonation resistance of concrete［J］. Alexandria Engineering Journal, 2019, 58(4): 1257-1264.
［17］Kaddah F, Amiri O, Turcry P, et al. Coupled thermo-hydro-chemical modeling of accelerated carbonation of cement-based materials: Application to CO2 uptake［J］. Journal of Building Engineering, 2024, 93: 109819.
［18］Omikrine Metalssi O, At-Mokhtar A, Turcry P. A proposed modelling of coupling carbonation-porosity-moisture transfer in concrete based on mass balance equilibrium［J］. Construction and Building Materials, 2020, 230: 116997.
［19］Tong Liangyu, Xiong Qing xiang, Ke Xinyuan, et al. Advanced modelling of moisture transport process in unsaturated cementitious materials considering multi-modal pore size distributions［J］. Cement and Concrete Research, 2025, 198: 107973.
［20］Chen Tiefeng, Xu Pengju, Gao Xiaojian, et al. New sights in early carbonation of calcium silicates: performance, mechanism and nanostructure［J］. Construction and Building Materials, 2022, 314: 125622.
［21］Chen Tiefeng, Gao Xiaojian. Effect of carbonation curing regime on strength and microstructure of Portland cement paste［J］. Journal of CO2 Utilization, 2019, 34: 74-86.
［22］石信超, 房晶瑞, 郅晓, 等. 孔结构和含水量对水泥净浆矿化养护性能的影响［J］. 硅酸盐通报, 2023, 42(8): 2692-2702.
Shi Xinchao, Fang Jingrui, Zhi Xiao, et al. Effects of pore structure and water content on carbonation curing performance of cement paste［J］. Bulletin of the Chinese Ceramic Society, 2023, 42(8): 2692-2702.
［23］Yu Hao, Tang Chenxi, Mehdizadeh H, et al. Effects of early hydration of alite and belite phases on subsequent accelerated carbonation［J］. Construction and Building Materials, 2024, 411: 134675.
［24］Cheng Luge, Kurihara R, Yang Zhenli, et al. Accelerated carbonation fronts in cement pastes: mechanistic insights and simplified modeling［J］. Cement and Concrete Research, 2026, 199: 108050.
［25］ Shi Xinyu, Yao Yan, Wang Ling, et al. A modified numerical model for predicting carbonation depth of concrete with stress damage［J］. Construction and Building Materials, 2021, 304: 124389.
［26］ Gong Peng, Mei Kaiyuan, Zhang Liwei, et al. Hydration and carbonation reaction dynamics in CO2-rich environment for tricalcium silicate (C3S) and dicalcium silicate (C2S)［J］. Powder Technology, 2025, 452: 120535.
［27］ Zhang Zhenqing, Zheng Keren, Chen Lou, et al. Review on accelerated carbonation of calcium-bearing minerals: carbonation behaviors, reaction kinetics, and carbonation efficiency improvement［J］. Journal of Building Engineering, 2024, 86: 108826.

[1]	岳宏智1,2，陈应鲛3，赵林1,2，周海防3，吕泉4. 化学法TB胶粉改性沥青混合料的路用性能研究[J]. 重庆交通大学学报（自然科学版）, 2025, 44(7): 59-66.
[2]	乔建刚，张帅泽. 基于分子动力学模拟的老化沥青再生机理研究[J]. 重庆交通大学学报（自然科学版）, 2025, 44(3): 26-32.
[3]	扈惠敏1，郭雷1，王博2. 稻壳炭-石灰复合土的力学性能及微观机理研究[J]. 重庆交通大学学报（自然科学版）, 2025, 44(3): 57-64.
[4]	张争奇1，张璟业1，郑文章1，2，徐玉峰3，谈俊卿3. 钢渣热阻沥青路面的抗车辙性能研究[J]. 重庆交通大学学报（自然科学版）, 2024, 43(1): 18-25.
[5]	杨博1，2，周波1，程逸寰1，张萌1，唐乃膨1. 牡蛎壳粉沥青胶浆路用性能研究[J]. 重庆交通大学学报（自然科学版）, 2024, 43(1): 26-30.
[6]	孔令云, 张艺昕, 曾玉梅, 黄麟钬. 沥青断裂性能理论模型的建立与试验验证[J]. 重庆交通大学学报（自然科学版）, 2023, 42(1): 45-53.
[7]	蔡凤杰, 冯振刚, 姚冬冬, 陈婷婷, 韦金城. 沥青蠕变恢复性能快速检测方法研究[J]. 重庆交通大学学报（自然科学版）, 2023, 42(1): 54-59.
[8]	何丽红1，马悦帆1，邓稳1,2，朱洪洲1，郝增恒3. SRX聚合物级配碎石强度特性分析[J]. 重庆交通大学学报（自然科学版）, 2022, 41(04): 76-80.
[9]	南雪丽1,2，李荣洋1,2，姬建瑞1,2，王毅1,2，陈浩1,2. 中流动性混凝土工作性与砂浆流变特性相关性研究[J]. 重庆交通大学学报（自然科学版）, 2022, 41(04): 81-86.
[10]	张争奇1，卢川1，王素青1，2，李乃强3，李宏伟3. 高模量沥青性能及其界定标准研究[J]. 重庆交通大学学报（自然科学版）, 2021, 40(09): 109-116.
[11]	蔡斌1，余功新2，李彦伟1，薛善光1. 超高掺量胶粉改性沥青性能[J]. 重庆交通大学学报（自然科学版）, 2021, 40(09): 117-123.
[12]	侯芸1，2，3，董元帅1，2，3，李志豪4，胡森4，曹雪娟5. 植物油再生SBS改性沥青混合料路用性能研究[J]. 重庆交通大学学报（自然科学版）, 2021, 40(08): 120-125.
[13]	乔志1，陈谦2，王朝辉2，牛昌昌1，郭滕滕2. 新型电气石复合材料及其沥青烟吸附性研究[J]. 重庆交通大学学报（自然科学版）, 2021, 40(08): 126-131.
[14]	赵伟. 纳米蒙脱石/SBS复掺改性沥青性能试验研究[J]. 重庆交通大学学报（自然科学版）, 2021, 40(07): 118-122.
[15]	郭鹏1，陈思贤1，曹志国1，刘俊1，孟建玮2，鲜江林3. 复配废机油再生剂的制备及性能研究[J]. 重庆交通大学学报（自然科学版）, 2021, 40(06): 87-91.