首页> 外文会议>Conference of Aseanian Membrane Society(AMS 2006); 20060823-25; Beijing(CN) >MEMBRANE PROPERTIES OF POLYMER MATERIALS FOR GAS SEPARATION PREDICTED BY GROUP CONTRIBUTION AND MOLECULAR SIMULATION METHODS
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MEMBRANE PROPERTIES OF POLYMER MATERIALS FOR GAS SEPARATION PREDICTED BY GROUP CONTRIBUTION AND MOLECULAR SIMULATION METHODS

机译:基团贡献和分子模拟方法预测气体分离用高分子材料的膜性能

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摘要

More and more polymeric materials have been produced with the rapid development of materials science, it becomes more important to predict the polymer performance in design and development of new materials, while the conventional researching method relying on repeated experiment and characterization is time-consuming and energy-cost, and so various methods for predicting properties of polymer material were developed. The classic group contribution method and molecular simulation technology are simple and effective but not so precise. With the development of molecular science and computer technology, it is possible and necessary to integrate the prediction of polymer performance with modern information processing technology, which makes computer increasingly powerful in resolving the questions of polymer science and practical application.
机译:随着材料科学的飞速发展,越来越多的聚合物材料被生产出来,预测聚合物在新材料的设计和开发中的性能变得越来越重要,而传统的依靠重复实验和表征的研究方法既费时又费力。成本,因此开发了多种预测聚合物材料性能的方法。经典的基团贡献方法和分子模拟技术简单有效,但不够精确。随着分子科学和计算机技术的发展,将聚合物性能的预测与现代信息处理技术相集成成为可能和必要,这使得计算机在解决聚合物科学和实际应用问题方面变得越来越强大。

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