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It is currently assumed that infrared dark clouds (IRDCs) represent the earliest evolutionary stages of high-mass stars ($>$ 8 M$_{odot}$). Submillimeter and millimeter-wave studies performed over the past 15 years show that IRDCs possess a broad var iety of properties, and hence a wide range of problems and questions that can be tackled. In this paper, we report an investigation of the molecular composition and chemical processes in two groups of IRDCs. Using the Mopra, APEX, and IRAM radio telescopes over the last four years, we have collected molecular line data for CO, H$_2$CO, HNCO, CH$_3$CCH, CH$_3$OH, CH$_3$CHO, CH$_3$OCHO, and CH$_3$OCH$_3$. For all of these species we estimated molecular abundances. We then undertook chemical modeling studies, concentrating on the source IRDC028.34+0.06, and compared observed and modeled abundances. This comparison showed that to reproduce observed abundances of complex organic molecules (COMs), a 0-D gas-grain model with constant physical conditions is not sufficient. We achieved greater success with the use of a warm-up model, in which warm-up from 10 K to 30 K occurs following a cold phase.
We simulate the chemistry of infrared dark clouds (IRDCs) with a model in which the physical conditions are homogeneous and time-independent. The chemistry is solved as a function of time with three networks: one purely gas-phase, one that includes a ccretion and desorption, and one, the complete gas-grain network, that includes surface chemistry in addition. We compare our results with observed molecular abundances for two representative IRDCs -- IRDC013.90-1 and IRDC321.73-1 -- using the molecular species N$_2$H$^+$, HC$_3$N, HNC, HCO$^+$, HCN, C$_2$H, NH$_3$ and CS. IRDC013.90-1 is a cold IRDC, with a temperature below 20 K, while IRDC321.73-1 is somewhat warmer, in the range 20 - 30 K. We find that the complete gas-grain model fits the data very well, but that the goodness-of-fit is not sharply peaked at a particular temperature. Surface processes are important for the explanation of the high gas-phase abundance of N$_2$H$^+$ in IRDC321.73-1. The general success of the 0-D model in reproducing single-dish observations of our limited sample of 8 species shows that it is probably sufficient for an explanation of this type of data. To build and justify more complicated models, including spatial temperature and density structure, contraction, and heating, we require high-resolution interferometric data.
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