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The European Space Agency (ESA) Rosetta spacecraft (Schulz, R., Alexander, C., Boehnhardt, H., Glassmeier, K.H. (Eds.) [2009]. “ROSETTA – ESA”) will encounter Comet 67P/Churyumov-Gerasimenko in 2014 and spend the next 18 months in the vicinity of the comet, permitting very high spatial and spectral resolution observations of the coma and nucleus. During this time, the heliocentric distance of the comet will change from ∼3.5 AU to ∼1.3 AU, accompanied by an increasing temperature of the nucleus and the development of the coma. The Microwave Instrument for the Rosetta Orbiter (MIRO) will observe the ground-state rotational transition (110–101) of H216O at 556.936 GHz, the two isotopologues H217O and H218O and other molecular transitions in the coma during this time (Gulkis, S. et al., [2007]. MIRO: Microwave Instrument for Rosetta Orbiter. Space Sci. Rev. 128, 561–597). The aim of this study is to simulate the water line spectra that could be obtained with the MIRO instrument and to understand how the observed line spectra with various viewing geometries can be used to study the physical conditions of the coma and the water excitation processes throughout the coma. We applied an accelerated Monte Carlo method to compute the excitations of the seven lowest rotational levels (101, 110, 212, 221, 303, 312, and 321) of ortho-water using a comet model with spherically symmetric water outgassing, density, temperature and expansion velocity at three different heliocentric distances 1.3 AU, 2.5 AU, and 3.5 AU. Mechanisms for the water excitation include water–water collisions, water–electron collisions, and infrared pumping by solar radiation. Synthetic line spectra are calculated at various observational locations and directions using the MIRO instrument parameters. We show that observations at varying viewing distances from the nucleus and directions have the potential to give diagnostic information on the continuum temperature and water outgassing rates at the surface of the nucleus, and the gas density, expansion velocity, and temperature of the coma as a function of distance from the nucleus. The gas expansion velocity and temperature affect the spectral line width and frequency shift of the line from the rest frequency, while the gas density (which is directly related to the outgassing rate) and the line excitation temperature determine the antenna temperature of the absorption and emission signal in the line profile.

Extensive regions of low-density cometary comae are characterized by important deviations from the Maxwell–Boltzmann velocity distribution, i.e. breakdown of thermodynamic equilibrium. The consequences of this on the shapes of emission and absorption lines, and for the acceleration of solid bodies due to gas drag, have rarely been investigated. These problems are studied here to aid in the development of future coma models, and in preparation for observations of Comet 67P/Churyumov–Gerasimenko from the ESA Rosetta spacecraft. Two topics in particular, related to Rosetta, are preparation for in situ observations of water, carbon monoxide, ammonia, and methanol emission lines by the mm/sub-mm spectrometer MIRO, as well as gas drag forces on dust grains and on the Rosetta spacecraft itself. Direct Simulation Monte Carlo (DSMC) modeling of H 2 O/CO mixtures in spherically symmetric geometries at various heliocentric distances are used to study the evolution of the (generally non-Maxwellian) velocity distribution function throughout the coma. Such distribution functions are then used to calculate Doppler broadening profiles and drag forces. It is found that deviation from thermodynamic equilibrium indeed is commonplace, and already at 2.5 AU from the Sun the entire comet coma displays manifestations of such breakdown, e.g., non-equal partitioning of energy between kinetic and rotational modes, causing substantial differences between translational and rotational temperatures. We exemplify how deviations from thermodynamic equilibrium affect the properties of Doppler broadened line profiles. Upper limits on the size of liftable dust grains as well as terminal grain velocities are presented. Furthermore, it is demonstrated that the drag-to-gravity force ratio is likely to decrease with decreasing cometocentric distance, which may be of relevance both for Rosetta and for the lander probe Philae.