Laser-Induced Phase Transitions in Gas-Phase Suspended Molecular Nanoparticles

气相悬浮分子纳米颗粒中激光诱导的相变

基本信息

项目摘要

Experimental and computer-chemical investigation of melting and vaporisation of gas-phase suspended H20 and D2O nanoparticles is proposed. The heating of the particles being initially in thermal equilibrium will be realized by use of infrared-emitting laser sources. HDO will act as an indicator for presence of the liquid phase in the particles. A new technique for generation of mantle-core particles and layered particles composed of different isotopomers, combined with laser heating and sensitive FTIR detection, will allow to get site-dependent structure information for water nanoparticles for the first time. Special efforts will be directed on the investigation of thickness, structure and temperature dependence of the quasi-liquid-layer (QLL) on the particles. The QLL determines the vapour pressure of the particles; the role of quantum effects will be on focus. Other efforts are addressed to study processes of the particles as molecular self-diffusion. Smaller sizes of water clusters in thermal equilibrium with 2 to 100 molecules per particle are aimed for by use of laser-induced explosive particle vaporisation. A bank of computer codes for simulating structure and dynamics of water clusters will be applied for sizes up to n = 1000 molecules and developed for bigger particles parallel to the experimental program. The codes apply Molecular Dynamics, Path Integral Monte Carlo and other methods. The expected results should have major importance to basic water research, to atmospheric and astro-chemical applications as well as to nanoengineering of molecular nanoparticles.
对气相悬浮H20和D2O纳米颗粒的熔融和汽化进行了实验和计算机化学研究。初始处于热平衡状态的粒子的加热将通过使用红外发射激光来实现。HDO将作为颗粒中是否存在液态的指示剂。一种新的产生不同同位素组成的地核颗粒和层状颗粒的技术,结合激光加热和灵敏的FTIR检测,将首次能够获得水纳米颗粒的位置相关结构信息。将专门研究颗粒上准液体层(QLL)的厚度、结构和温度相关性。QLL决定了粒子的蒸汽压;量子效应的作用将集中在焦点上。其他的努力也致力于研究粒子的分子自扩散过程。利用激光诱导的炸药颗粒汽化,目标是在每个颗粒上有2到100个分子的热平衡的较小尺寸的水团簇。一组用于模拟水团簇结构和动力学的计算机代码将应用于最大尺寸为n=1000的分子,并与实验程序并行开发用于更大颗粒的计算机代码。该程序应用了分子动力学、路径积分蒙特卡罗等方法。预期的结果将对基础水研究、大气和天文化学应用以及分子纳米颗粒的纳米工程具有重大意义。

项目成果

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Professor Dr. Karl-Heinz Gericke其他文献

Professor Dr. Karl-Heinz Gericke的其他文献

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{{ truncateString('Professor Dr. Karl-Heinz Gericke', 18)}}的其他基金

Plasma assisted conversion of methane and carbon dioxide
甲烷和二氧化碳的等离子体辅助转化
  • 批准号:
    68830807
  • 财政年份:
    2008
  • 资助金额:
    --
  • 项目类别:
    Research Grants
Two-photon two-color excited polarized fluorescence in biologically relevant molecules: investigation of molecular excited state structure and dynamics
生物相关分子中的双光子双色激发偏振荧光:分子激发态结构和动力学的研究
  • 批准号:
    71349453
  • 财政年份:
    2008
  • 资助金额:
    --
  • 项目类别:
    Research Grants
Molekulare Diffusion charakterisiert durch Einzelmolekül-Imaging und zeitaufgelöste Fluoreszenzanisotropie
以单分子成像和时间分辨荧光各向异性为特征的分子扩散
  • 批准号:
    54432073
  • 财政年份:
    2007
  • 资助金额:
    --
  • 项目类别:
    Research Grants
Three dimensional imaging of state resolved product distribution of chemical elementary processes
化学基本过程的状态分辨产物分布的三维成像
  • 批准号:
    5404200
  • 财政年份:
    2003
  • 资助金额:
    --
  • 项目类别:
    Research Grants
Vollständig zustandsaufgelöste "state-to-state"-Stoßdynamik von NH im vibronischen Grundzustand
NH 在振动基态下的完全状态解析的状态间冲击动力学
  • 批准号:
    5217358
  • 财政年份:
    2000
  • 资助金额:
    --
  • 项目类别:
    Research Grants

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炎性反应中巨噬细胞激活诱导死亡(activation-induced cell death,AICD)的机理研究
  • 批准号:
    30330260
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使用机器学习优化飞秒激光诱导气相等离子体反应
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气相分离离子的激光诱导荧光和溶剂效应
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