In this research, molecular dynamics simulations were employed to unravel the transmission mechanisms of chloride ions and sodium ions throughout ettringite nanopores as exposed to an external electric field 0–0.04 V/Å. The current was generated by the directional migration of cations and anions, proportional to the intensity of electric field, among which chlorides account for 80% while sodium contributes little. The migration of sodium ions was limited as a result of the attraction from the oxygen atoms in the sulfate ions on the ettringite surface. This effect weakened due to the increase in the electric field intensity. Furthermore, the relocation rate of ions may obey in the following ranking: Cl⁻ > Ow > Na⁺. The development of this work can reveal the mechanism of ion migration and diffusion inside the pores of concrete during the application of the electrochemical desalination method, which has a guiding significance for the durability design of concrete structures.

在这项研究中，分子动力学模拟被用来揭示氯离子和钠离子在整个钙矾石纳米孔中暴露于0-0.04 V /Å的电场下的传输机理。电流是由与电场强度成比例的阳离子和阴离子的定向迁移产生的，其中氯化物占80％，而钠的贡献很小。由于钙矾石表面上的硫酸根离子中氧原子的吸引，钠离子的迁移受到限制。由于电场强度的增加，这种作用减弱了。CL：此外，离子的迁移率可以按照以下排名服从^-  >嗷>的Na ⁺。这项工作的进展可以揭示离子脱盐在混凝土孔隙中的迁移和扩散机理，这对混凝土结构的耐久性设计具有指导意义。