在来自原子模拟的水泥水化过程中,C-S-H的多步核化路径

Hydration of cement is a chemical reaction between cement particles and water. This process occurs primarily through two mechanisms: through-solution and topochemical. In the through-solution process, anhydrous compounds dissolve into their constituents, hydrates form in the solution, and then precipitate from the supersaturated solution. The topochemical process involves solid-state reactions at the cement particle surface. The through-solution process dominates the topochemical process at the...

The hydration of cement is an exothermic reaction in which heat is generated as cement hydrates. This heat of hydration is critical to cement's strength development. The rate at which this heat is generated affects the temperature rise, with a majority of the heat being released early in the hydration process, half within the first three days, and about 75% within the first week.
The heat of hydration for each cement compound is significant; for instance, tricalcium aluminate (C3A) and...

The transition zone in concrete is a critical area where aggregate meets cement paste, marked by a distinct porosity and weakness compared to the surrounding material. The adhesion around the aggregates is primarily due to Van Der Waals forces. The voids within this zone influence its robustness; initially, it is less durable than the surrounding bulk mortar due to larger voids. Initially, when concrete is compacted, a higher water-cement ratio near the aggregates leads to the formation of...

The alkali-aggregate reaction in concrete involves natural siliceous minerals in aggregates reacting with alkaline hydroxides derived from cement alkalis. This reaction forms an alkali-silica gel that absorbs water, swells, and increases in volume, which is confined by the surrounding cement paste, creating internal pressures that crack and disrupt the concrete. The extent of expansion and damage can be partly attributed to the alkali-silica reaction's osmotic hydraulic pressure and the...

The cationic polymerization mechanism consists of three steps: initiation, propagation, and termination. In the initiation step of the polymerization process, the π bond of a monomer gets protonated by the Lewis acid catalyst, which is formed from boron trifluoride and water. The protonation of the π bond generates a carbocation stabilized by the electron‐donating group. In the propagation step, the π bond of the second monomer acts as a nucleophile and attacks the...

Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent...