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Updated: Dec 3, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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水溶液中のマクロ分子とホフマイスターカチオンの相互作用の分子機構

Ellen E Bruce1, Halil I Okur2,3, Sina Stegmaier1

  • 1Eduard-Zintl-Institut für Anorganische und Physikalische Chemie, Technische Universität Darmstadt, D-64287 Darmstadt, Germany.

Journal of the American Chemical Society
|October 30, 2020
PubMed
まとめ

カチオン水分化とイオンペアリングは,ポリマーの溶解性に影響を与えます. 強力に水分化されたカチオンは,高塩分濃度で強化されるポリマーと相互作用することによって,塩分抜き効果を軽減します.

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