有机膦酸阻垢剂与羧酸螯合剂对碳酸钙的抑制机理探究

【作者】 季燕； 杨文忠；

【机构】 南京工业大学化学与分子工程学院；

【摘要】 膦酸和羧酸基团均具有阻垢性能,对比氨基三亚甲基膦酸(ATMP)和结构相近的氮三乙酸(NTA),乙二胺四乙酸(EDTA)对碳酸钙的析出和溶解的表现,发现ATMP无论是对钙垢的析出和溶解均表现出优异效果,其次是NTA。利用分子模拟和量子化学从分子结构角度解释了ATMP对碳酸钙有较好的作用的是因为带负电荷密度大且分子构型与方解石的(110)(104)晶面匹配,NTA由于与钙离子的螯合强度不如EDTA,导致螯合环相对容易断裂,有更多可能与多个钙离子形成螯合物,因此表现出对钙的抑制效果强于EDTA。更多还原

【Abstract】 Phosphonic acids and carboxylic acid inhibitors have excellent scale inhibition performance. All the amino trimethylene phosphonic acid(ATMP), nitrilotriacetic acid(NTA) and ethylene diamine tetra-acetic acid(EDTA) were taken into consideration of the inhibition of the calcium carbonate scale deposition and dissolution, wherein ATMP had the strongest inhibitory effect, and EDTA was the most unobvious one. Molecular dynamic simulation and quantum calculation were explained that ATMP has excellent inhibition efficiency of calcium carbonate because of the biggest negative charge density and suitable atomic distances with(104) and(110) surfaces. As NTA cannot chelate well with Ca-ion like EDTA can, it has more possibility to chelate with more Ca-ions and shown better scale inhibition efficiency than EDTA.更多还原