Calcium carbonate formation mechanism in MSHC revealed by molecular simulation

IF 1.9 4区化学 Q4 CHEMISTRY, PHYSICAL

Molecular Simulation Pub Date : 2024-04-15 DOI:10.1080/08927022.2024.2338376

Jie Zhu, Dejian Shen, Baosheng Jin, Shengxing Wu

引用次数: 0

Abstract

Microbial self-healing concrete (MSHC) is an eco-friendly material that supports low-carbon development. However, the formation mechanism of calcium carbonate (CaCO3) in MSHC remains unclear. This ...

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分子模拟揭示 MSHC 中碳酸钙的形成机制

微生物自愈混凝土（MSHC）是一种支持低碳发展的环保材料。然而，MSHC 中碳酸钙（CaCO3）的形成机理仍不清楚。这 ...

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来源期刊

Molecular Simulation 化学-物理：原子、分子和化学物理

CiteScore

3.80

自引率

9.50%

发文量

128

审稿时长

3.1 months

期刊介绍： Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation. Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics. The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged. Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.