SIMULATION OF REINFORCEMENT DEGREE OF NANOCOMPOSITES ELASTOMER/2D-NANOFILLER

G. Kozlov, I. Dolbin
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Abstract

Three schemes of modeling of reinforcement degree of nanocomposites polymer/2D-nanofiller with elastomeric matrix were proposed, differing principally from used ones earlier. These schemes do not used nominal characteristics of nanofiller (its modulus of elasticity, anisotropy degree), yet allow to obtain real (effective) values of these parameters. It has been shown, that modulus of elasticity of 2D-nanofiller aggregates in polymer matrix of nanocomposite is a function of stiffness of the indicated matrix. The other analogous model assumes the dependence of modulus of elasticity of 2D-nanofiller on its aggregation degree in polymer matrix, expressed by number of nanofiller separate platelets per one aggregate (“packet” or tactoid). The combination of these approaches allows to predict the real degree of nanofiller anisotropy and then reinforcement degree of nanocomposite. One more scheme uses the structure of nanofiller aggregates, characterized by its fractal dimension, for modeling of reinforcement degree of nanocomposites. The obtained real modulus of elasticity of 2D-nanofiller is in 5 orders of value smaller relatively to its nominal magnitude. The application of real (effective) characteristics of nanofiller allows to simulate reinforcement degree of nanocomposite within the framework of simple mixtures rule. Nanocomposites elastomer/2D-nanofiller are enough conservative systems, for which real anisotropy degree and structure of nanofiller aggregates do not depend on its content. This circumstance simplifies perceptibly prediction of mechanical properties of these nanocomposites.
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纳米复合弹性体/二维纳米填料的增强度模拟
提出了三种基于弹性基体的纳米复合材料/二维纳米填充剂增强度建模方案,与以往的方案有较大区别。这些方案不使用纳米填料的标称特性(其弹性模量,各向异性程度),但允许获得这些参数的真实(有效)值。研究表明,纳米复合材料聚合物基体中二维纳米填料聚集体的弹性模量是基体刚度的函数。另一个类似的模型假设二维纳米填料的弹性模量与其在聚合物基体中的聚集程度的依赖关系,以每一个聚集体(“包”或tactoid)的纳米填料分离血小板的数量表示。这些方法的结合可以预测纳米填料的实际各向异性程度,进而预测纳米复合材料的增强程度。另一种方案是利用纳米填料聚集体的分形维数来模拟纳米复合材料的增强度。得到的二维纳米填料的实际弹性模量比其标称值小了5个数量级。利用纳米填料的真实(有效)特性,可以在简单混合规律的框架内模拟纳米复合材料的增强程度。纳米复合弹性体/二维纳米填料是足够保守的体系,纳米填料团聚体的实际各向异性程度和结构并不取决于其含量。这种情况明显地简化了这些纳米复合材料力学性能的预测。
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