基于聚合物纳米微球堵水材料结构和性能关系的分子模拟设计

项目名称： 基于聚合物纳米微球堵水材料结构和性能关系的分子模拟设计

项目编号： No.51304163

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 矿业工程

项目作者： 戴姗姗

作者单位： 西南石油大学

项目金额： 25万元

中文摘要： 堵水调剖近年来已成为石油开采中的一个研究热点，但相应成果的获得往往需要进行繁琐的实验，投入大量的资金和时间，并在很大程度上取决于研究人员的经验，这一系列困难都极大地限制了对堵水材料深层次规律的探索，从而严重制约其发展速度和应用前景。本项目拟通过分子设计，应用纳米技术及微乳液聚合技术，制备具有特殊结构的多层次聚合物纳米微球。在Flory-Huggins基本原理的基础上，借助分子动力学和介观动力学模拟，构筑起一套合理的模型与算法，深入研究多层次纳米堵水微球体系的动力学形成、演变、发展过程及微观形态，结合实验结果，在分子尺度、介观尺度和宏观尺度水平研究建立体系组成、微观结构与宏观性能之间的关系，弥补理论和实验研究的不足，缩短研发周期，节约成本，为油田堵水材料乃至其他油田化学品的研究和开发开辟新思路和新方法。

中文关键词： 分子动力学；核壳结构；界面；微球；模拟

英文摘要： The preparation of water shut off materials with novel, efficient, economical, environmental properties, and the study of corresponding technic are becoming more and more important in the field of oil production. Results are usually obtained by doing large numbers of experiments, giving much fund and time. Besides, it is also depended on the experience of researchers. All the aspects mentioned above greatly limits the development and application of these materials. Nanomaterial with the structure of multi-layers was prepared by micro-emulsion polymerization. Computer simulation is, for the first time, introduced into the study of water shut off. Molecular structure and behavior will be builded by computer model. The corresponding physical and chemical properties will be forecasted qualitatively, even quantitatively. Therefore, research period and cost will be reduced obviously. Based on the principle of Flory-Huggins, the formation, evolution, and morphology of nanomaterial will be studied by molecular and mesoscopic dynamics. Combined with results of experiments, the relationship between structure and properties will be established in the microscopic, mesoscopic and macroscopic level.

英文关键词： molecular dynamics；core-shell structure；interface；microsphere；simulation