有机分子模板控制下的三氧化二铁的矿化结晶及机理研究
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摘要
铁的生物矿化是生物矿化物中发现得比较晚,但又极重要的一类。铁矿物的变化对其所处环境的地球化学性质影响极大。铁氧化物因其具有稳定的化学性质和较高的比表面积,吸附性能良好,对阴、阳离子、重金属离子及有机螯合剂在环境中的迁移和沉淀有重要影响,特别是铁氧化物(如磁、赤铁矿)的定向膜沉积在信息储存材料领域的应用正在开发,因而具有十分重要的研究意义。因此,本论文根据生物矿化原理,研究可溶性有机质和不可溶性有机质调控氢氧化铁凝胶的矿化过程仿生制备纳米三氧化二铁晶体,具有重要的理论意义。取得的研究成果归纳如下:
1.首先,通过选择不同的pH值、阴离子、不同沉淀剂、不同溶剂等条件,来改变氢氧化铁凝胶的矿化环境,从而得到最有利于三氧化二铁晶体的形成条件;然后,在最优的矿化条件下,以可溶性的有机质(聚丙烯酸钠)作为晶体生长的模板和引导剂,调控氢氧化铁凝胶矿化仿生制备三氧化二铁晶体。目的是研究可溶性有机质对氢氧化铁凝胶矿化行为的调控及其机理,结果表明矿化体系的pH、阴离子、沉淀剂以及溶剂的类型等都能影响氢氧化铁凝胶的矿化行为;而且在最优的矿化条件下,可溶性有机质聚丙烯钠通过选择成核和相变的机制控制矿化产物的晶体类型、形貌、性质及生长方式等。
2.在最优的矿化条件下,以不可溶性有机质(壳聚糖和聚乙烯醇)作为晶体生长的模板,调控氢氧化铁凝胶的矿化过程仿生制备三氧化二铁晶体。目的是研究不可溶性有机质对氢氧化铁凝胶矿化行为的调控及其机理,结果表明不可溶性有机质分子的官能团存在着周期性的结构,与矿物晶体之间存在着有机-无机的界面匹配,可以有效的降低晶体成核的势能位垒,来控制矿物晶体的形核以及相转变过程。
3.模拟生物矿物的形成过程,在上述可溶性有机质和不可溶性有机质协同作用下,调控氢氧化铁凝胶矿化仿生制备三氧化二铁晶体。目的是研究有机质协同作用对氢氧化铁凝胶矿化行为的调控作用及其机理,结果表明不同类型的有机质在矿物晶体形成过程中的作用不同,不可溶性有机质作为模板,通过有机-无机的界面匹配控制矿物晶体的形核以及相转变过程;可溶性有机质吸附在矿物晶体的表面控制晶体的取向生长和聚集,二者协同作用共同控制氢氧化铁凝胶的矿化过程以及矿化产物的晶体类型、形貌、性质及生长方式等。
4.利用分子动力学原理,通过分子模拟技术模拟聚丙烯酸钠和聚乙烯醇与三氧化二铁晶体之间的相互作用。目的是在原子水平上理解有机质控制晶体生长的作用机理,结果表明聚乙烯醇与三氧化二铁晶体(110)面之间存在强烈的相互作用,水分子的存在可以增加聚丙烯酸钠与三氧化二铁晶体(104)面的结合,并促进三氧化二铁晶体的生长,聚乙烯醇与赤铁矿(110)面之间的作用力以及聚丙烯钠与赤铁矿(104)面之间的作用力均为库伦力和范德华力,它们对于有机质与晶体表面的结合起到促进作用。
Biomineralization of iron was discovered later in biomineralization, which were vital ones. There is significant investigation in iron oxide for their stable chemical properties, higher specific surface area, good absorbability and having significant influence on transportation and deposition of negative ion, positive ion and heavy mental ion and organic sequestering agent, especially, the application of the oriented deposition film of iron oxide (such as magnetism, hematite) is under development in the field of information storage materials. Therefore, in this paper we studied the process that soluble organic matter and insoluble organic matter controlled the biomineralization of ferric hydroxide (Fe(OH)_3) and biomimetic synthesis nano hematite (α-Fe_2O_3) crystals based on the basic principles of biomineralization, which has important theoretical significance. The detailed research results obtained are summarized as follows:
1. Firstly, the optimal condition ofα-Fe_2O_3 formation was obtained by choosing various pH, negative ion, precipitant and solvent etc to change the environment of the mineralization, and then under the optimal mineralization condition, the soluble organic matter (polyacrylate sodium) was used as an effective soft-template to regulate and control the Fe(OH)3 gel mineralization and biomimetic synthesis theα-Fe_2O_3 crystal. The objective is to study the regulation and mechanism of soluble organic matter on the biomineralization process of Fe (OH) 3 gel. The results showed that the pH value, negative ion, precipitation reagent and type of solvent of mineralized system could influence the biomineralization process of Fe(OH)3 gel. Moreover, under the optimal mineralized condition, soluble organic matter (polyacrylate sodium) controlled the type of crystal, morphology, property and growth patterns of the mineralized products by the way of choosing the mechanism of nucleation and phase transition.
2. Under the optimal mineralized condition, the insoluble organic matters (chitosan and polyvinyl alcohol) were used as the hard-template of crystal growth to regulate and control the Fe(OH)3 gel mineralization and biomimetic synthesis theα-Fe_2O_3 crystal. The objective is to study the regulation and mechanism of the insoluble organic matters on the biomineralization process of Fe(OH)3 gel. The results indicated that there were periodic structures in the functional group of insoluble organic matters, which can effectively reduce the potential barrier of crystal nucleation, and then control the process of crystal nucleation and phase transition.
3. We have simulated the formation process of the biominerals, regulating and controlling the Fe(OH)_3 gel mineralization and biomimetic synthesis theα-Fe_2O_3 crystal under the co-effection of the above-mentioned soluble organic matter and insoluble organic matter. The objective is to study the regulation and mechanism of organic matter’s co-effection on the biomineralization process of Fe(OH)_3 gel. The results indicated that different types of organic matter played different roles in the process of mineral crystal formation. Insoluble organic matters were used as the template controlling the nucleation and phase transition of mineral crystals by the organic/inorganic interface matching; while the soluble organic matter absorbed in the surface of the mineral crystal to control the oriented growth and aggregation of crystal. The co-effection of the both co-control the process of Fe(OH)_3 gel and the crystal type of mineralized products, morphology, property and growth patterns etc.
4. We simulated the interaction between polyacrylate sodium, polyvinyl alcohol and ferric oxide crystals by the Molecular Simulation Technology based on the principle of molecular dynamics. The objective is to understand the mechanism that organic matters control the crystal growth at the atomic level. The results showed that there was strong interaction between polyvinyl alcohol and the (110) plane ofα-Fe_2O_3 crystal; the water molecule can favor the binding between polyacrylate sodium and the (104) plane ofα-Fe_2O_3 crystal and accelerate the growth ofα-Fe_2O_3 crystal. The force between polyvinyl alcohol and the (110) plane ofα-Fe_2O_3 crystal, as well as the force between polyacrylate sodium and the (104) plane ofα-Fe_2O_3 crystal are all Coulomb force and Van der Waals force. These forces facilitated the binding between organic matter and crystal surfaces. It was further concluded that organic matters could modulate iron biomineralization process; they control the nucleation and growth of mineral crystals by the different mode of action.
1.首先,通过选择不同的pH值、阴离子、不同沉淀剂、不同溶剂等条件,来改变氢氧化铁凝胶的矿化环境,从而得到最有利于三氧化二铁晶体的形成条件;然后,在最优的矿化条件下,以可溶性的有机质(聚丙烯酸钠)作为晶体生长的模板和引导剂,调控氢氧化铁凝胶矿化仿生制备三氧化二铁晶体。目的是研究可溶性有机质对氢氧化铁凝胶矿化行为的调控及其机理,结果表明矿化体系的pH、阴离子、沉淀剂以及溶剂的类型等都能影响氢氧化铁凝胶的矿化行为;而且在最优的矿化条件下,可溶性有机质聚丙烯钠通过选择成核和相变的机制控制矿化产物的晶体类型、形貌、性质及生长方式等。
2.在最优的矿化条件下,以不可溶性有机质(壳聚糖和聚乙烯醇)作为晶体生长的模板,调控氢氧化铁凝胶的矿化过程仿生制备三氧化二铁晶体。目的是研究不可溶性有机质对氢氧化铁凝胶矿化行为的调控及其机理,结果表明不可溶性有机质分子的官能团存在着周期性的结构,与矿物晶体之间存在着有机-无机的界面匹配,可以有效的降低晶体成核的势能位垒,来控制矿物晶体的形核以及相转变过程。
3.模拟生物矿物的形成过程,在上述可溶性有机质和不可溶性有机质协同作用下,调控氢氧化铁凝胶矿化仿生制备三氧化二铁晶体。目的是研究有机质协同作用对氢氧化铁凝胶矿化行为的调控作用及其机理,结果表明不同类型的有机质在矿物晶体形成过程中的作用不同,不可溶性有机质作为模板,通过有机-无机的界面匹配控制矿物晶体的形核以及相转变过程;可溶性有机质吸附在矿物晶体的表面控制晶体的取向生长和聚集,二者协同作用共同控制氢氧化铁凝胶的矿化过程以及矿化产物的晶体类型、形貌、性质及生长方式等。
4.利用分子动力学原理,通过分子模拟技术模拟聚丙烯酸钠和聚乙烯醇与三氧化二铁晶体之间的相互作用。目的是在原子水平上理解有机质控制晶体生长的作用机理,结果表明聚乙烯醇与三氧化二铁晶体(110)面之间存在强烈的相互作用,水分子的存在可以增加聚丙烯酸钠与三氧化二铁晶体(104)面的结合,并促进三氧化二铁晶体的生长,聚乙烯醇与赤铁矿(110)面之间的作用力以及聚丙烯钠与赤铁矿(104)面之间的作用力均为库伦力和范德华力,它们对于有机质与晶体表面的结合起到促进作用。
Biomineralization of iron was discovered later in biomineralization, which were vital ones. There is significant investigation in iron oxide for their stable chemical properties, higher specific surface area, good absorbability and having significant influence on transportation and deposition of negative ion, positive ion and heavy mental ion and organic sequestering agent, especially, the application of the oriented deposition film of iron oxide (such as magnetism, hematite) is under development in the field of information storage materials. Therefore, in this paper we studied the process that soluble organic matter and insoluble organic matter controlled the biomineralization of ferric hydroxide (Fe(OH)_3) and biomimetic synthesis nano hematite (α-Fe_2O_3) crystals based on the basic principles of biomineralization, which has important theoretical significance. The detailed research results obtained are summarized as follows:
1. Firstly, the optimal condition ofα-Fe_2O_3 formation was obtained by choosing various pH, negative ion, precipitant and solvent etc to change the environment of the mineralization, and then under the optimal mineralization condition, the soluble organic matter (polyacrylate sodium) was used as an effective soft-template to regulate and control the Fe(OH)3 gel mineralization and biomimetic synthesis theα-Fe_2O_3 crystal. The objective is to study the regulation and mechanism of soluble organic matter on the biomineralization process of Fe (OH) 3 gel. The results showed that the pH value, negative ion, precipitation reagent and type of solvent of mineralized system could influence the biomineralization process of Fe(OH)3 gel. Moreover, under the optimal mineralized condition, soluble organic matter (polyacrylate sodium) controlled the type of crystal, morphology, property and growth patterns of the mineralized products by the way of choosing the mechanism of nucleation and phase transition.
2. Under the optimal mineralized condition, the insoluble organic matters (chitosan and polyvinyl alcohol) were used as the hard-template of crystal growth to regulate and control the Fe(OH)3 gel mineralization and biomimetic synthesis theα-Fe_2O_3 crystal. The objective is to study the regulation and mechanism of the insoluble organic matters on the biomineralization process of Fe(OH)3 gel. The results indicated that there were periodic structures in the functional group of insoluble organic matters, which can effectively reduce the potential barrier of crystal nucleation, and then control the process of crystal nucleation and phase transition.
3. We have simulated the formation process of the biominerals, regulating and controlling the Fe(OH)_3 gel mineralization and biomimetic synthesis theα-Fe_2O_3 crystal under the co-effection of the above-mentioned soluble organic matter and insoluble organic matter. The objective is to study the regulation and mechanism of organic matter’s co-effection on the biomineralization process of Fe(OH)_3 gel. The results indicated that different types of organic matter played different roles in the process of mineral crystal formation. Insoluble organic matters were used as the template controlling the nucleation and phase transition of mineral crystals by the organic/inorganic interface matching; while the soluble organic matter absorbed in the surface of the mineral crystal to control the oriented growth and aggregation of crystal. The co-effection of the both co-control the process of Fe(OH)_3 gel and the crystal type of mineralized products, morphology, property and growth patterns etc.
4. We simulated the interaction between polyacrylate sodium, polyvinyl alcohol and ferric oxide crystals by the Molecular Simulation Technology based on the principle of molecular dynamics. The objective is to understand the mechanism that organic matters control the crystal growth at the atomic level. The results showed that there was strong interaction between polyvinyl alcohol and the (110) plane ofα-Fe_2O_3 crystal; the water molecule can favor the binding between polyacrylate sodium and the (104) plane ofα-Fe_2O_3 crystal and accelerate the growth ofα-Fe_2O_3 crystal. The force between polyvinyl alcohol and the (110) plane ofα-Fe_2O_3 crystal, as well as the force between polyacrylate sodium and the (104) plane ofα-Fe_2O_3 crystal are all Coulomb force and Van der Waals force. These forces facilitated the binding between organic matter and crystal surfaces. It was further concluded that organic matters could modulate iron biomineralization process; they control the nucleation and growth of mineral crystals by the different mode of action.
引文
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