Multi-scale modeling and experimental investigations of geopolymeric gels at elevated temperatures
Multi-scale modeling and experimental investigations of geopolymeric gels at elevated temperatures
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DOI：
10.1016/j.compstruc.2013.01.005
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发表时间：
2013-06-01
影响因子：
4.7
通讯作者：
Mainardi, Daniela S.
中科院分区：
文献类型：
--
作者：
Kupwade-Patil, Kunal;Soto, Fernando;Mainardi, Daniela S.
地质聚合物是一类新兴的水泥粘结剂，由富含铝-硅的活化材料形成。实验结果表明，地质聚合物混凝土在高温下是相对稳定的，并可能用于应用，如喷嘴，吸气器和耐火衬里。具有约2：1的Si：Al比的地质聚合物灌浆在高温下表现出比具有较低Si：Al比的较低地质聚合物灌浆优越的上级性能。水合钠铝硅酸盐和水合钾铝硅酸盐是地质聚合物凝胶的主要产物，为了阐明它们在不同温度和不同硅铝比下的行为，采用密度泛函理论、分子力学和分子动力学对这两种体系的模型进行了研究。(C)2013爱思唯尔有限公司版权所有。
Geopolymers are an emerging class of cementitious binders formed by aluminum-silica rich activating materials. Experimental results indicate that geopolymer concrete is relatively stable at elevated temperatures, and could be possibly utilized in applications such as nozzles, aspirators and refractory linings. Geopolymer grouts with a Si:Al ratio of about 2:1 exhibited superior performance at elevated temperatures than lower geopolymer grouts, with lower Si:Al ratio. Sodium-alumino-silicate-hydrate and potassium-alumino-silicate-hydrate are primary products of geopolymer gels, and models of those systems were investigated using density functional theory, molecular mechanics and molecular dynamics in order to elucidate their behavior at different temperatures and varying Si:Al ratios. (C) 2013 Elsevier Ltd. All rights reserved.