论文标题
在水冰上与天体相关物种的扩散激活能量和解吸活化能显示没有明确的关系
Diffusion activation energy and desorption activation energy for astrochemically relevant species on water ice show no clear relation
论文作者
论文摘要
解吸的活化能(EDE)和尘埃粒上吸附分子的表面扩散(ESD)是星际培养基中化学的两个最重要参数。尽管EDE通常是通过实验室实验测量的,但ESD的测量很少。由于缺乏数据,天文学模型通常假设一个简单的缩放关系ESD = FEDES,其中F是恒定的,无论吸附物种而言,f是一个恒定的。在这里,我们使用超高的Vacuum透射电子显微镜(UHV-TEM)对CH4,H2S,OCS,CH3OH和CH3CN进行实验测量。从文献中编译了测得的ESD值和EDES值,我们发现F的值在〜0.2至〜0.7范围内,具体取决于物种。除非大多数物种可用的F(或ESD),否则天体化学模型的天然替代方法正在运行多个模拟,每种物种随机随机变化F。在这种方法中,由多个模拟预测的分子丰度范围,而不是每种模拟预测的丰度很重要。我们在这里运行了10,000个分子云和原始信封的星体化学模型的模拟,随机分配了每个物种的F值。在前一种情况下,我们确定了几种ESD最强烈影响模型预测的不确定性的几种关键物种。这些物种的ESD应在未来的实验室和量子化学研究中进行研究。在后一种情况下,许多物种的ESD中的不确定性导致模型预测中的不确定性。
The activation energy for desorption (Edes) and that for surface diffusion (Esd) of adsorbed molecules on dust grains are two of the most important parameters for the chemistry in the interstellar medium. Although Edes is often measured by laboratory experiments, the measurement of Esd is sparse. Due to the lack of data, astrochemical models usually assume a simple scaling relation, Esd = fEdes, where f is a constant, irrespective of adsorbed species. Here, we experimentally measure Esd for CH4, H2S, OCS, CH3OH, and CH3CN on water-ice surfaces using an ultra-high-vacuum transmission electron microscope (UHV-TEM). Compiling the measured Esd values and Edes values from the literature, we find that the value of f ranges from ~0.2 to ~0.7, depending on the species. Unless f (or Esd) for the majority of species is available, a natural alternative approach for astrochemical models is running multiple simulations, varying f for each species randomly. In this approach, ranges of molecular abundances predicted by multiple simulations, rather than abundances predicted by each simulation, are important. We here run 10,000 simulations of astrochemical models of molecular clouds and protostellar envelopes, randomly assigning a value of f for each species. In the former case, we identify several key species whose Esd most strongly affects the uncertainties of the model predictions; Esd for those species should be investigated in future laboratory and quantum chemical studies. In the latter case, uncertainties in the Esd of many species contribute to the uncertainties in the model predictions.