水分子和离子在地聚合物胶凝材料中的分子动力学研究  

Molecular Dynamics Study of Water Molecule and Ions in Geopolymer Cementitious Materials

作　　者：张景林 徐小倩 侯东帅 陈际洲[1] 金祖权[1] 李绍纯[1] 苗吉军[1] 刘俊伟[1] 张鹏[1] 王鹏刚[1] ZHANG Jinglin;XU Xiaoqian;HOU Dongshuai;CHEN Jizhou;JIN Zuquan;LI Shaochun;MIAO Jijun;LIU Junwei;ZHANG Peng;WANG Penggang(School of Civil Engineering,Qingdao University of Technology,Qingdao 266033,China)

机构地区：[1]青岛理工大学土木工程学院,青岛266033

出　　处：《硅酸盐通报》2020年第2期383-388,共6页Bulletin of the Chinese Ceramic Society

基　　金：国家自然科学基金(51678317)。

摘　　要：地聚合物是一种具有三维网状结构的水泥基胶凝材料,其主要水化产物是水合硅酸铝钠凝胶(NASH)。在工程应用中,氯盐侵蚀与硫酸盐侵蚀是影响耐久性的主要原因。运用分子动力学方法,研究NaCl溶液与Na2SO4溶液在NASH凝胶纳米孔道中的传输特性。结果表明,NaCl溶液与Na2SO4溶液在凝胶孔道的非饱和传输过程中,呈现出明显的毛细吸附现象,NASH凝胶界面呈现亲水性与电负性。Na2SO4溶液的侵入速率明显低于NaCl溶液,硫酸根离子对水分子侵入的抑制作用强于氯离子。Geopolymer, a cement-based cementitious material, has a three-dimensional network structure and its main hydration product is sodium aluminosilicate hydrated gel(NASH). In engineering applications, chloride and sulfate erosion are the main factors affecting durability. Molecular dynamics method was used to study the transport properties of NaCl solution and Na2SO4 solution in NASH gel nanometer channel. The results show that the NaCl solution and the Na2SO4 solution exhibit obvious capillary adsorption during the unsaturated transport of the gel pores, revealing the hydrophilicity and electronegativity of the NASH gel interface. The penetration depth of the Na2SO4 solution is significantly lower than that of the NaCl solution. The inhibitory effect of sulfate ions on the invasion of water molecules is stronger than that of chloride ions.

关 键 词：地聚合物 NASH凝胶 NACL溶液 Na2SO4溶液 离子传输特性 

分 类 号：TU528.1[建筑科学—建筑技术科学]