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Updated: Jun 28, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Published on: April 12, 2019

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对高度H2O2/H2O对Al纳米粒子燃烧的影响的原子洞察:ReaxFF分子动力学模拟

Xindong Yu1, Pengtu Zhang2, Heng Zhang1,3

  • 1Key Lab of Colloid and Interface Chemistry, Shandong University, Jinan 250100, China.

Molecules (Basel, Switzerland)
|April 13, 2024
PubMed
概括

将水添加到纳米粒子 (Al NP) 和过氧化 (H2O2) 推进剂中可以降低燃烧温度. 添加水会影响键形成和分解路径,影响H2的产生和Al NP的稳定性.

关键词:
Al纳米颗粒的使用.在ReaxFFFF中使用.燃烧过程中的燃烧.过氧化是一种过氧化.

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