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用FT-IR、XRD、SEM和TGA等研究了4种不同模拟体系中胆红素钙晶体的成核与生长情况,考察了生物大分子和CO2对胆红素钙的成核与结晶等的影响。结果表明,水溶液中胆红素钙很难结晶形成晶体结构,但在暴露大气中的葡聚糖水溶液模拟体系中则形成了含质量分数为12%碳酸钙的胆红素钙/碳酸钙复合晶体。在此过程中,CO2气体促进了碳酸钙晶体的形成,碳酸钙晶体不同晶面的选择吸附性能和葡聚糖分子的含O功能团为胆红素钙的成核提供了有效位点和定向调控作用,共同模板作用诱导调控了在2θ为19.8°、21.8°有强衍射峰的胆红素钙晶体的形成。晶态胆红素钙具有明显的热分解温度,而处于非晶态时则无此种现象。 相似文献
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多氨基多醚基亚甲基膦酸的合成及其阻垢机理的MD模拟 总被引:6,自引:2,他引:4
以端氨基聚醚、亚磷酸、甲醛、浓盐酸等为原料合成了新型水处理剂多氨基多醚基亚甲基膦酸(PAPEMP), 并通过红外、核磁等手段对产品进行了表征. 采用分子动力学(MD)模拟退火方法, 研究了周期性边界条件下PAPEMP与方解石晶体的相互作用, 探讨了该相互作用的本质, 并初步阐释了PAPEMP的阻垢机理. 结果发现, PAPEMP分子(n=1~8)与方解石 晶面的结合能强弱排序依次为(按聚合度) 5>6>4>3>8>2>7>1. 对体系各种相互作用以及对关联函数g(r)的分析表明, 超分子体系的结合能主要由库仑作用(包括离子键)提供, 并含少量氢键成分; van der Waals作用为正值, 不利于结合体系的形成. 能量分析表明, 与方解石晶面结合的PAPEMP (n=1~8)分子均发生了明显的扭曲变形. 相似文献
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The possibility of using crushed oyster shell to partly replace the fine aggregate of concrete was evaluated. The compressive strength and slump of concrete mixture with different amount of crushed oyster shell were tested and thus the appropriate dosage was determined. Additionally, the compatibility with super plasticizer and the stability in Na2SO4 solution were also discussed to prove the feasibility of oyster shell as fine aggregate of concrete. The microstructure of concrete was observed with XRD and SEM techniques. This research provides the basis for the application of waste biomass calcite. 相似文献
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Kim YY Hetherington NB Noel EH Kröger R Charnock JM Christenson HK Meldrum FC 《Angewandte Chemie (International ed. in English)》2011,50(52):12572-12577
Single-crystal calcite nanowires are formed by crystallization of morphologically equivalent amorphous calcium carbonate (ACC) particles within the pores of track etch membranes. The polyaspartic acid stabilized ACC is drawn into the membrane pores by capillary action, and the single-crystal nature of the nanowires is attributed to the limited contact of the intramembrane ACC particle with the bulk solution. The reaction environment then supports transformation to a single-crystal product. 相似文献
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Biomineralization is believed to be achieved by the intimate cooperation of soluble macromolecules and an insoluble matrix at the specific inorganic–organic interface. It has been reported that positively charged matrices play an important role in controlling the structure of CaCO3 at surfaces, although detailed mechanisms remain unclear. In this work, we studied the transformation from amorphous CaCO3 to calcite crystals on surfaces by using thin films of poly(2‐(dimethylamino)ethyl methacrylate) (PDMAEMA) and its quaternized form. The positively charged PDMAEMA film was found to possess unique properties for CaCO3 crystallization: individually separated, single calcite crystals were formed on the PDMAEMA film in the absence of poly(acrylic acid) (PAA), while circularly fused calcite crystals were formed in the presence of PAA. The circularly fused (rosette‐shaped) calcite crystals could be changed from a completely packed rosette to a ring‐shaped, hollow structure by tuning the crystallization conditions. A number of factors, such as reaction time, amount of (NH4)2CO3, concentration of PAA, and charge of matrix‐films, were varied systematically, and we now propose a mechanism based on these observations. 相似文献