关于在水泥表面上对CO2吸附的机制性见解:来自第一原则计算的覆盖和预水效应

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 fineness of cement directly influences the rate of hydration, as the hydration begins at the surface of the cement particles. In addition to hydration, the fineness of cement is vital for various properties of concrete including workability, gypsum requirement, and long-term behavior. The fineness of cement is represented in terms of the specific surface of cement which is typically measured in square meters per kilogram, with several methods available for this determination.
Direct...

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...

The hydration of cement takes place within the water-filled capillary pores. However, environmental elements can disrupt this process by evaporating water from the concrete surfaces. Sealed concrete with a water-cement ratio below 0.5 experiences self-desiccation, leading to water loss. The water loss in concrete is mitigated by curing. This technique involves keeping the concrete saturated to maintain the necessary temperature and moisture conditions, to optimally fill the spaces in the cement...

The porosity of concrete is a measure of the void spaces within its structure. These spaces impact its strength and durability significantly. When water and cement interact, a chemical reaction called hydration creates a semi-solid paste. This paste includes combined water, making up approximately 23% of the cement's dry mass, and gel water, which fills minuscule voids known as gel pores, accounting for about 28% of the cement gel volume.
The balance of water to cement in the mix is...