ポリメリゼーションとダイナミクスのモデルをリンクして,分岐ポリマー構造とフローを予測します

Daniel J Read¹, Dietmar Auhl, Chinmay Das

¹Department of Applied Mathematics, University of Leeds, Leeds LS2 9JT, UK.

Science (New York, N.Y.)

|October 1, 2011

まとめ

この研究は,ポリマーの分岐構造と粘性弾性とを結びつける予測スキームを導入しています. この方法は,ポリマーの融解特性を正確に予測し,シリコン材料の設計を可能にします.

科学分野:

ポリマーサイエンスの科学
マテリアルサイエンス材料科学
整形外科医整形外科医整形外科医

背景:

複雑なポリマー溶融の粘着弾性特性を予測することは困難です.
産業用ポリマーはしばしばストキャスティックな分岐を示し,構造-性質の関係を複雑にします.

研究の目的:

ポリマートポロジーを粘着弾性と結びつける予測スキームを開発する.
ポリメリゼーション運動から線形および非線形粘性弾性性を計算する.
新しいポリマー材料のインシリコ設計を可能にするために.

主な方法:

ポリメリゼーションの数値シミュレーションとチューブ/エンタグメントポリマーダイナミクスを組み合わせる.
ポリマーダイナミクスを完全に非線形応答に拡張する.
高圧フリーラジカルポリエチレンなどのストカスティックに分岐したポリマー溶液の分析.

主要な成果:

このスキームは,ポリマー形成の動力学に基づいて粘性弾性性を成功裏に予測します.
低密度ポリエチレンの計算は,実験データと良好な一致を示しています.
この方法は,最適化された溶融レオロギーの分子起源を明らかにします.

結論:

予測スキームは,ポリマーの融解行動を理解するための強力なツールを提供します.
基本的ポリマー科学と工業加工,材料設計を結びつけています.
このアプローチは,シリコン設計で,洗練されたレオロギーを持つ高度なポリマー材料の設計を容易にする.

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