Predicting Dissolution Kinetics of Tricalcium Silicate Using Deep Learning and Analytical Models
Predicting Dissolution Kinetics of Tricalcium Silicate Using Deep Learning and Analytical Models
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DOI：
10.3390/a16010007
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发表时间：
2022-12
期刊：
影响因子：
2.3
通讯作者：
Taihao Han;Sai Akshay Ponduru;Arianit A. Reka;Jie Huang;G. Sant;Aditya Kumar
中科院分区：
文献类型：
--
作者：
Taihao Han;Sai Akshay Ponduru;Arianit A. Reka;Jie Huang;G. Sant;Aditya Kumar
波特兰水泥的溶解动力学是控制混凝土水化反应和改善混凝土性能的关键因素。硅酸三钙（C3S）是波特兰水泥中的主要相，已知其具有复杂的溶解机制，涉及多种反应和颗粒表面的变化。因此，当前的分析模型不能准确地预测C3S在各种溶剂中的溶解动力学，当其相对于溶剂不饱和时。本文采用深森林（DF）模型预测C3S在欠饱和溶剂中的溶解速率。DF模型考虑了几个变量，包括测量方法（即，连接到电感耦合等离子体光谱仪和具有垂直扫描干涉测量法的流动室的反应器）、温度和溶剂的物理化学性质。接下来，DF模型评估每个变量对C3S溶解速率的影响，并且该信息用于开发可以预测C3S溶解速率的封闭式分析模型。分析模型的系数和常数在两种情况下进行了优化：通用和碱性溶剂。结果表明，DF和解析模型都能够产生可靠的预测C3S溶解速率时，它是欠饱和和远离平衡。
The dissolution kinetics of Portland cement is a critical factor in controlling the hydration reaction and improving the performance of concrete. Tricalcium silicate (C3S), the primary phase in Portland cement, is known to have complex dissolution mechanisms that involve multiple reactions and changes to particle surfaces. As a result, current analytical models are unable to accurately predict the dissolution kinetics of C3S in various solvents when it is undersaturated with respect to the solvent. This paper employs the deep forest (DF) model to predict the dissolution rate of C3S in the undersaturated solvent. The DF model takes into account several variables, including the measurement method (i.e., reactor connected to inductive coupled plasma spectrometer and flow chamber with vertical scanning interferometry), temperature, and physicochemical properties of solvents. Next, the DF model evaluates the influence of each variable on the dissolution rate of C3S, and this information is used to develop a closed-form analytical model that can predict the dissolution rate of C3S. The coefficients and constant of the analytical model are optimized in two scenarios: generic and alkaline solvents. The results show that both the DF and analytical models are able to produce reliable predictions of the dissolution rate of C3S when it is undersaturated and far from equilibrium.