首页> 外文会议>International symposium on industrial crystallization >AN EXPERIMENTAL AND MOLECULAR MODELLING INVESTIGATION INTO THE INHIBITION OF GYPSUM CRYSTALLISATION BY PHOSPHONATE ADDITIVES
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AN EXPERIMENTAL AND MOLECULAR MODELLING INVESTIGATION INTO THE INHIBITION OF GYPSUM CRYSTALLISATION BY PHOSPHONATE ADDITIVES

机译:膦酸盐添加剂抑制石膏晶体抑制的实验与分子模拟研究

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The growth inhibition of gypsum by multiple phosphonate molecules was examined in aqueous solution and with the aid of molecular modelling. Seeded growth rates from supersaturated solution was decreased with additive concentrations as low as 1x10-7 M, accompanied by a change in habit towards blockier crystals. Modelling calculations demonstrated EDTP prefers to dock with all four phosphonate species embedded into the surface. The results suggest phosphonate pairing within the molecule, and separation between these pairs, are the determining factors in a phosphonate molecules ability to inhibit gypsum crystal growth.
机译:在水溶液中检查多个膦酸盐分子的石膏的生长抑制,借助于分子建模。从加饱和溶液的种子生长速率随着添加剂浓度降低,低至1×10-7m,伴随着血栓间晶体的习惯的变化。建模计算显示EDTP与嵌入到表面中的所有四种膦酸盐物种码头。结果表明分子内的膦酸配对,以及这些对之间的分离,是膦酸盐分子抑制石膏晶体生长的能力中的确定因子。

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