通过反应分子动力学模拟对碳化水泥材料的碳化动力学的研究

Atmospheric CO2 penetrates the concrete's pores and, in the presence of moisture, forms carbonic acid, which then reacts with calcium hydroxide in the hydrated cement, forming calcium carbonate. This process reduces the concrete's volume and is termed carbonation shrinkage.
The concrete's permeability is slightly reduced as calcium carbonate produced during the reaction fills its pores. Furthermore, its strength is slightly enhanced as the water released during the reaction...

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...

When acids come into contact with concrete, they initiate a chemical reaction that dissolves the hydrated cement paste. This process leads to softening and structural weakening of the concrete. This issue is commonly observed in environments such as chimneys, sewers, and industrial settings. The severity of the damage increases as the pH of the water interacting with the concrete drops below 6.5. In particular, a pH under 4.5 can cause significant concrete damage.
The rate at which hydrogen...

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 soundness of cement refers to the ability of cement paste to retain its volume after setting. Unsound cement can lead to expansion and structural damage due to the presence of free lime, magnesia, and calcium sulfate. Free lime hydrates very slowly, expanding and causing unsoundness, which is difficult to detect because it intercrystallizes with other compounds. Magnesia also reacts with water, forming crystals that can disrupt the cement's structure. Calcium sulfate can create...