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首页> 外文期刊>Journal of Materials Research >Coupling thermodynamics and digital image models to simulate hydration and microstructure development of portland cement pastes
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Coupling thermodynamics and digital image models to simulate hydration and microstructure development of portland cement pastes

机译：耦合热力学和数字图像模型以模拟硅酸盐水泥浆的水化和微观结构发展

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摘要

Equilibrium thermodynamic calculations, coupled to a kinetic model for the dissolution rates of clinker phases, have been used in recent years to predict time-dependent phase assemblages in hydrating cement pastes. We couple this approach to a 3D microstructure model to simulate microstructure development during the hydration of ordinary portland cement pastes. The combined simulation tool uses a collection of growth/dissolution rules to approximate a range of growth modes at material interfaces, including growth by weighted mean curvature and growth by random aggregation. The growth rules are formulated for each type of material interface to capture the kinds of cement paste microstructure changes that are typically observed. We make quantitative comparisons between simulated and observed microstructures for two ordinary portland cements, including bulk phase analyses and two-point correlation functions for various phases. The method is also shown to provide accurate predictions of the heats of hydration and 28 day mortar cube compressive strengths. The method is an attractive alternative to the cement hydration and microstructure model CEMHYD3D because it has a better thermodynamic and kinetic basis and because it is transferable to other cementitious material systems.
机译：近年来，已经将平衡热力学计算与熟料相溶解速率的动力学模型相结合，用于预测水化水泥浆中随时间变化的相组合。我们将此方法与3D微观结构模型耦合，以模拟普通硅酸盐水泥浆水化过程中的微观结构发展。组合的模拟工具使用一组生长/溶解规则来近似材料界面处的一系列生长模式，包括通过加权平均曲率进行的增长和通过随机聚集进行的增长。针对每种类型的材料界面制定了生长规则，以捕获通常观察到的各种水泥浆微结构变化。我们对两种普通硅酸盐水泥的模拟和观察到的微观结构进行了定量比较，包括本体相分析和各相的两点关联函数。还显示了该方法可以准确预测水化热和28天砂浆的抗压强度。该方法是水泥水化和微观结构模型CEMHYD3D的一种有吸引力的替代方法，因为它具有更好的热力学和动力学基础，并且可以转移到其他胶结材料系统中。

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  • 来源
    《Journal of Materials Research》 |2011年第4期|p.609-622|共14页
  • 作者

    Jeffrey W. Bullard; Barbara Lothenbach; Paul E. Stutzman; Kenneth A. Snyder;

  • 作者单位

    Materials and Construction Research Division, National Institute of Standards and Technology, Gaithersburg,Maryland;

    Laboratory for Concrete and Construction Chemistry, Empa, CH-8600 Dubendorf, Switzerland;

    Materials and Construction Research Division, National Institute of Standards and Technology, Gaithersburg,Maryland;

    Materials and Construction Research Division, National Institute of Standards and Technology, Gaithersburg,Maryland;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 eng
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