Fig. 4.

Evolution of H2O during the shock referenced in Figs. 2 and 3 in both mhd_vode and UCLCHEM. Within this figure, sputtering has been deactivated in UCLCHEM for the purposes of comparison. This implies that only gas-phase chemical reactions are active in these simulations so that the effect of the differences in the temperature profiles between mhd_vode and our approximation can be fairly evaluated. The abundance evolution of H2O up to d ≈ 1013 cm is in almost perfect agreement. This is in spite of the lack of inflexion point in both T and n between 1011 < d < 1014 cm. This proves that such a departure has negligible effect during the shock. mhd_vode manually cools H2O, hence the decrease in abundance at d ≈ 1014 cm. UCLCHEM does not implement this cooling.
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