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UNIFIED MICROSCOPIC–MACROSCOPIC MONTE CARLO SIMULATIONS OF COMPLEX ORGANIC MOLECULE CHEMISTRY IN COLD CORES

机译:核中复杂有机分子化学的统一微观-宏观蒙特卡罗模拟

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The recent discovery of methyl formate and dimethyl ether in the gas phase of cold cores with temperatures as cold as 10 K challenges our previous astrochemical models concerning the formation of complex organic molecules (COMs). The strong correlation between the abundances and distributions of methyl formate and dimethyl ether further shows that current astrochemical models may be missing important chemical processes in cold astronomical sources. We investigate a scenario in which COMs and the methoxy radical can be formed on dust grains via a so-called chain reaction?mechanism, in a similar manner to CO2. A unified gas-grain microscopic–macroscopic Monte Carlo approach with both normal and interstitial sites for icy grain mantles is used to perform the chemical simulations. Reactive desorption with varying degrees of efficiency is included to enhance the nonthermal desorption of species formed on cold dust grains. In addition, varying degrees of efficiency for the surface formation of methoxy are also included. The observed abundances of a variety of organic molecules in cold cores can be reproduced in our models. The strong correlation between the abundances of methyl formate and dimethyl ether in cold cores can also be explained. Nondiffusive chemical reactions on dust grain surfaces may play a key role in the formation of some COMs.
机译:最近在温度低至10 K的冷核气相中发现甲酸甲酯和二甲醚,挑战了我们先前关于复杂有机分子(COMs)形成的天化学模型。甲酸甲酯和二甲醚的丰度和分布之间的强相关性进一步表明,当前的天化学模型可能缺少冷天文来源中的重要化学过程。我们研究了一种情景,其中COMs和甲氧基可以通过所谓的连锁反应机制以类似于CO2的方式在尘埃颗粒上形成。结合使用具有正常和间隙位置的冰粒状地幔的统一气粒微观-宏观蒙特卡罗方法进行化学模拟。包括具有不同效率的反应性脱附,以增强在冷尘粒上形成的物质的非热脱附。此外,还包括不同程度的甲氧基表面形成效率。可以在我们的模型中复制冷核心中观察到的各种有机分子的丰度。也可以解释冷芯中甲酸甲酯和二甲醚的丰度之间的强相关性。尘粒表面上的非扩散化学反应可能在某些COM的形成中起关键作用。

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