论文标题
用分子动力学模拟研究的无定形实心水的H $ _2 $吸附
Adsorption of H$_2$ on Amorphous Solid Water Studied with Molecular Dynamics Simulations
论文作者
论文摘要
在与无定形固体水（ASW）表面碰撞后，我们调查了h $ _2 $的行为，这是浓云的主要成分，这是最丰富的星际冰中最丰富的化学物种之一。我们开发了一个一般框架，以研究星际冰的光种的吸附动力学。我们提供结合能及其分布，在1 MeV和60 MeV之间的入射能的粘附概率以及在10至110 K的表面温度之间的热粘量系数在10到300 K之间。我们发现，粘性概率很大程度上取决于吸附能量和表面温度，但在表面温度上很难，但在不一致的角度上。我们观察到高于热脱附温度以上的有限粘性概率。吸附和热解吸应视为具有单独时间尺度的单独事件。这些物种的实验室结果表明，归因于不同实验技术的趋势存在差距。我们的结果补充观察结果并扩展了它们，增加了所考虑的气温范围。我们计划采用我们的方法研究各种吸附物，包括激进和带电物种。
We investigated the behavior of H$_2$, main constituent of the gas phase in dense clouds, after collision with amorphous solid water (ASW) surfaces, one of the most abundant chemical species of interstellar ices. We developed a general framework to study the adsorption dynamics of light species on interstellar ices. We provide binding energies and their distribution, sticking probabilities for incident energies between 1 meV and 60 meV, and thermal sticking coefficients between 10 and 300 K for surface temperatures from 10 to 110 K. We found that the sticking probability depends strongly on the adsorbate kinetic energy and the surface temperature, but hardly on the angle of incidence. We observed finite sticking probabilities above the thermal desorption temperature. Adsorption and thermal desorption should be considered as separate events with separate time scales. Laboratory results for these species have shown a gap in the trends attributed to the differently employed experimental techniques. Our results complement observations and extend them, increasing the range of gas temperatures under consideration. We plan to employ our method to study a variety of adsorbates, including radical and charged species.
