分类： 天文学 >> 天文学 提交时间： 2023-02-19
摘要： We investigate the roles of stochastic grain heating in the formation of complex organic molecules (COMs) in cold cores, where COMs have been detected. Two different types of grain-size distributions are used in the chemical models. The first one is the MRN distribution, and the second one considers grain coagulation to study its effects on the chemical evolution in these environments. The macroscopic Monte Carlo method is used to perform the two-phase chemical model simulations. We find that (1) grain coagulation can affect certain gas-phase species, such as CO$_2$ and N$_2$H$^+$, in the cold core environments, which can be attributed to the volatile precursors originating from the small grains with temperature fluctuations; (2) grains with radii around 4.6 $\times$ 10$^{-3}$ $\mu$m contribute most to the production of COMs on dust grains under cold core conditions, while few species can be formed on even smaller grains with radii less than 2 $\times$ 10$^{-3}$ $\mu$m; (3) COMs formed on stochastically heated grains could help explain the observed abundances of gas-phase COMs in cold cores.
分类： 天文学 >> 天文学 提交时间： 2023-02-19
摘要： Cyanamide (NH2CN) and its isomer, carbodiimide (HNCNH), may form adenine in the interstellar medium (ISM) via a series of reactions. Therefore, they are considered key prebiotic molecules in the study of the origin of life. We used the three-phase NAUTILUS chemical code, which includes the gas, the dust surface, and the icy mantle, to investigate the formation and destruction of cyanamide and carbodiimide. We added over 200 new chemical reactions of the two isomers and related species, and established a relatively complete network. We applied cold core, hot corino/core and shock models to simulate the different physical environments, and found that the two isomers are mainly produced by the free radical reactions on grain surfaces. Our simulated results suggest that cyanamide and carbodiimide molecules come from surface chemistry at early evolutionary stages. Then they are released back to the gas phase, either by thermal process (in hot cores, hot corinos) or shock-induced desorption (in shock regions).We speculate that it is an inefficient route to form a tautomer of adenine by starting from molecules cyanoacetylene (C3NH), cyanamide and carbodiimide in ISM.
分类： 天文学 >> 天文学 提交时间： 2023-02-19
摘要： Cyanamide (NH2CN) and its isomer, carbodiimide (HNCNH), may form adenine in the interstellar medium (ISM) via a series of reactions. Therefore, they are considered key prebiotic molecules in the study of the origin of life. We used the three-phase NAUTILUS chemical code, which includes the gas, the dust surface, and the icy mantle, to investigate the formation and destruction of cyanamide and carbodiimide. We added over 200 new chemical reactions of the two isomers and related species, and established a relatively complete network. We applied cold core, hot corino/core and shock models to simulate the different physical environments, and found that the two isomers are mainly produced by the free radical reactions on grain surfaces. Our simulated results suggest that cyanamide and carbodiimide molecules come from surface chemistry at early evolutionary stages. Then they are released back to the gas phase, either by thermal process (in hot cores, hot corinos) or shock-induced desorption (in shock regions).We speculate that it is an inefficient route to form a tautomer of adenine by starting from molecules cyanoacetylene (C3NH), cyanamide and carbodiimide in ISM.
分类： 天文学 >> 天文学 提交时间： 2023-02-19
摘要： We investigated the chemical evolutions of gas phase and grain surface species across the Taurus molecular cloud-1 (TMC-1) filament from translucent phase to dense phase. By comparing observations with modeling results from an up-to-date chemical network, we examined the conversion processes for the carbon-, oxygen-, nitrogen- and sulfur-bearing species, i.e.from their initial atomic form to their main molecular reservoir form both in the gas phase and on the grain surface. The conversion processes were found to depend on the species and A$_V$. The effect of initial carbon to oxygen elemental abundances ratio (C/O) by varying O on the chemistry was explored, and an initial carbon elemental abundance of 2.5 $\times$ 10$^{-4}$ and a C/O ratio of 0.5 could best reproduce the abundances of most observed molecules at TMC-1 CP, where more than 90 molecules have been identified. Based on the TMC-1 condition, we predicted a varied grain ice composition during the evolutions of molecular clouds, with H$_2$O ice as the dominant ice composition at A$_V$ $>$ 4 mag, CO$_2$ ice as the dominant ice composition at A$_V$ $<$ 4 mag, while CO ice severely decreased at A$_V$ around 4--5 mag.
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