Definition
Rate equation models are chemical simulations in which the rate of change of the concentration of each molecule in the simulation is written in terms of the rates of formation and depletion. The integration of the coupled differential equations leads to the concentration of each species as a function of time. Large numbers of chemical reactions, typically greater than 1000, are needed to simulate the chemistry of interstellar clouds in the gas and on the surfaces of dust particles.
Overview
Rate equation models consist of kinetic differential equations, which equate the time derivative of the concentration of each molecule in the model with the sum of their rates of gain and loss (Wakelam et al. 2010). The gain and loss terms can involve bimolecular collisions between species or can involve bombardment by photons and external cosmic rays leading to ionization and dissociation. As an example, consider a gas-phase process in which a molecule C is formed by a reaction between...
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References and Further Reading
Garrod RT, Vasyunin AI, Semenov DA, Wiebe DS, Henning T (2009) A new modified rate approach for gas-grain chemistry. Comparison with a unified large-scale unified Monte Caro calculation. Astrophys J 700:L43–L46
Wakelam V, Smith IWM, Herbst E et al (2010) Reaction networks for interstellar chemical modelling: improvements and challenges. Space Sci Rev 156:13–72
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Herbst, E. (2018). Rate Equation Models. In: Gargaud, M., et al. Encyclopedia of Astrobiology. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-27833-4_5386-1
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DOI: https://doi.org/10.1007/978-3-642-27833-4_5386-1
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