Context. The large icy moons of Jupiter formed in a circumplanetary disk (CPD). CPDs are fed by vertically infalling circumstellar gas and dust which may be shock-heated upon accretion. Accreted material is then either incorporated into moons, falls into the planet, or is lost beyond the disk edge on relatively short timescales. If ices are sublimated during accretion onto the CPD we know there must be sufficient time for them to recondense or moons such as Ganymede or Callisto could not form. The chemical timescale to form sufficiently icy solids places a novel constraint on the dynamical behaviour and properties of CPDs. Aims. We aim to explore the process of ice formation in CPDs to constrain which disk properties (such as the mass, viscosity, and dust-to-gas ratio) are consistent with the formation of an icy moon system. Methods. We use the radiation thermochemical code ProDiMo (Protoplanetary Disk Model) to analyze how the radial ice abundance evolves in CPDs. We consider different initial chemical conditions of the disk to explore the consequences of infalling material being inherited from the circumstellar disk or being reset to atomic conditions by shock-heating. We contrast the timescales of ice formation with disk viscous timescales and radial dust drift. Results. We have derived the radial ice abundance and rate of ice formation in a small grid of model CPDs. Water ice can form very efficiently in the CPD from initially atomic conditions, as a significant fraction is efficiently re-deposited on dust grains within <1 yr. Radial grain drift timescales are in general longer than those of ice formation on grains. Icy grains of size a < 3 mm retain their icy mantles while crossing an optically thin circumstellar disk gap at 5 au for L < 10 L. Conclusions. Three-body reactions play an important role in water formation in the dense midplane condition of CPDs. The CPD midplane must be depleted in dust relative to the circumstellar disk by a factor 10-50 to produce solids with the ice to rock ratio of the icy Galilean satellites. The CPD snowline is not erased by radial grain drift, which is consistent with the compositional gradient of the Galilean satellites being primordial. @en

Context. Molecular hydrogen (H2) is the main constituent of the gas in the planet-forming disks that surround many pre-main-sequence stars. H2 can be incorporated in the atmosphere of the nascent giant planets in disks. Deuterium hydride (HD) has been detected in a few disks and can be considered the most reliable tracer of H2, provided that its abundance throughout the disks with respect to H2 is well understood. Aims. We wish to form H2 and HD efficiently for the varied conditions encountered in protoplanetary disks: the densities vary from 104 to 1016 cm-3; the dust temperatures range from 5 to 1500 K, the gas temperatures go from 5 to a few 1000 Kelvin, and the ultraviolet radiation field can be 107 stronger than the standard interstellar field. Methods. We implemented a comprehensive model of H2 and HD formation on cold and warm grain surfaces and via hydrogenated polycyclic aromatic hydrocarbons in the physico-chemical code PROtoplanetary DIsk MOdel. The H2 and HD formation on dust grains can proceed via the Langmuir-Hinshelwood and Eley-Ridel mechanisms for physisorbed or chemisorbed H (D) atoms. H2 and HD also form by H (D) abstraction from hydrogenated neutral and ionised PAHs and via gas phase reactions. Results. H2 and HD are formed efficiently on dust grain surfaces from 10 to ∼700 K. All the deuterium is converted into HD in UV shielded regions as soon as H2 is formed by gas-phase D abstraction reactions. The detailed model compares well with standard analytical prescriptions for H2 (HD) formation. At low temperature, H2 is formed from the encounter of two physisorbed atoms. HD molecules form on the grain surfaces and in the gas-phase. At temperatures greater than 20 K, the encounter between a weakly bound H-(or D-) atom or a gas-phase H (D) atom and a chemisorbed atom is the most efficient H2 formation route. H2 formation through hydrogenated PAHs alone is efficient above 80 K. However, the contribution of hydrogenated PAHs to the overall H2 and HD formation is relatively low if chemisorption on silicate is taken into account and if a small hydrogen abstraction cross-section is used. The H2 and HD warm grain surface network is a first step in the construction of a network of high-temperature surface reactions. @en

Context. Molecular hydrogen (H2) is the main constituent of the gas in the planet-forming disks that surround many pre-main-sequence stars. H2 can be incorporated in the atmosphere of the nascent giant planets in disks. Deuterium hydride (HD) has been detected in a few disks and can be considered the most reliable tracer of H2, provided that its abundance throughout the disks with respect to H2 is well understood. Aims. We wish to form H2 and HD efficiently for the varied conditions encountered in protoplanetary disks: the densities vary from 104 to 1016 cm-3; the dust temperatures range from 5 to 1500 K, the gas temperatures go from 5 to a few 1000 Kelvin, and the ultraviolet radiation field can be 107 stronger than the standard interstellar field. Methods. We implemented a comprehensive model of H2 and HD formation on cold and warm grain surfaces and via hydrogenated polycyclic aromatic hydrocarbons in the physico-chemical code PROtoplanetary DIsk MOdel. The H2 and HD formation on dust grains can proceed via the Langmuir-Hinshelwood and Eley-Ridel mechanisms for physisorbed or chemisorbed H (D) atoms. H2 and HD also form by H (D) abstraction from hydrogenated neutral and ionised PAHs and via gas phase reactions. Results. H2 and HD are formed efficiently on dust grain surfaces from 10 to ∼700 K. All the deuterium is converted into HD in UV shielded regions as soon as H2 is formed by gas-phase D abstraction reactions. The detailed model compares well with standard analytical prescriptions for H2 (HD) formation. At low temperature, H2 is formed from the encounter of two physisorbed atoms. HD molecules form on the grain surfaces and in the gas-phase. At temperatures greater than 20 K, the encounter between a weakly bound H-(or D-) atom or a gas-phase H (D) atom and a chemisorbed atom is the most efficient H2 formation route. H2 formation through hydrogenated PAHs alone is efficient above 80 K. However, the contribution of hydrogenated PAHs to the overall H2 and HD formation is relatively low if chemisorption on silicate is taken into account and if a small hydrogen abstraction cross-section is used. The H2 and HD warm grain surface network is a first step in the construction of a network of high-temperature surface reactions. @en

Context. Molecular hydrogen (H2) is the main constituent of the gas in the planet-forming disks that surround many pre-main-sequence stars. H2 can be incorporated in the atmosphere of the nascent giant planets in disks. Deuterium hydride (HD) has been detected in a few disks and can be considered the most reliable tracer of H2, provided that its abundance throughout the disks with respect to H2 is well understood. Aims. We wish to form H2 and HD efficiently for the varied conditions encountered in protoplanetary disks: the densities vary from 104 to 1016 cm-3; the dust temperatures range from 5 to 1500 K, the gas temperatures go from 5 to a few 1000 Kelvin, and the ultraviolet radiation field can be 107 stronger than the standard interstellar field. Methods. We implemented a comprehensive model of H2 and HD formation on cold and warm grain surfaces and via hydrogenated polycyclic aromatic hydrocarbons in the physico-chemical code PROtoplanetary DIsk MOdel. The H2 and HD formation on dust grains can proceed via the Langmuir-Hinshelwood and Eley-Ridel mechanisms for physisorbed or chemisorbed H (D) atoms. H2 and HD also form by H (D) abstraction from hydrogenated neutral and ionised PAHs and via gas phase reactions. Results. H2 and HD are formed efficiently on dust grain surfaces from 10 to ∼700 K. All the deuterium is converted into HD in UV shielded regions as soon as H2 is formed by gas-phase D abstraction reactions. The detailed model compares well with standard analytical prescriptions for H2 (HD) formation. At low temperature, H2 is formed from the encounter of two physisorbed atoms. HD molecules form on the grain surfaces and in the gas-phase. At temperatures greater than 20 K, the encounter between a weakly bound H-(or D-) atom or a gas-phase H (D) atom and a chemisorbed atom is the most efficient H2 formation route. H2 formation through hydrogenated PAHs alone is efficient above 80 K. However, the contribution of hydrogenated PAHs to the overall H2 and HD formation is relatively low if chemisorption on silicate is taken into account and if a small hydrogen abstraction cross-section is used. The H2 and HD warm grain surface network is a first step in the construction of a network of high-temperature surface reactions. @en

Context. The origin of the reservoirs of water on Earth is debated. The Earth's crust may contain at least three times more water than the oceans. This crust water is found in the form of phyllosilicates, whose origin probably differs from that of the oceans. Aims. We test the possibility to form phyllosilicates in protoplanetary disks, which can be the building blocks of terrestrial planets. Methods. We developed an exploratory rate-based warm surface chemistry model where water from the gas-phase can chemisorb on dust grain surfaces and subsequently diffuse into the silicate cores. We applied the phyllosilicate formation to a zero-dimensional chemical model and to a 2D protoplanetary disk model (PRODIMO). The disk model includes in addition to the cold and warm surface chemistry continuum and line radiative transfer, photoprocesses (photodissociation, photoionisation, and photodesorption), gas-phase cold and warm chemistry including three-body reactions, and detailed thermal balance. Results. Despite the high energy barrier for water chemisorption on silicate grain surfaces and for diffusion into the core, the chemisorption sites at the surfaces can be occupied by a hydroxyl bond (-OH) at all gas and dust temperatures from 80 to 700 K for a gas density of 2 × 104 cm-3. The chemisorption sites in the silicate cores are occupied at temperatures between 250 and 700 K. At higher temperatures thermal desorption of chemisorbed water occurs. The occupation efficiency is only limited by the maximum water uptake of the silicate. The timescales for complete hydration are at most 105 yr for 1 mm radius grains at a gas density of 108 cm-3. Conclusions. Phyllosilicates can be formed on dust grains at the dust coagulation stage in protoplanetary disks within 1 Myr. It is however not clear whether the amount of phyllosilicate formed by warm surface chemistry is sufficient compared to that found in Solar System objects.@en

Context. The origin of the reservoirs of water on Earth is debated. The Earth's crust may contain at least three times more water than the oceans. This crust water is found in the form of phyllosilicates, whose origin probably differs from that of the oceans. Aims. We test the possibility to form phyllosilicates in protoplanetary disks, which can be the building blocks of terrestrial planets. Methods. We developed an exploratory rate-based warm surface chemistry model where water from the gas-phase can chemisorb on dust grain surfaces and subsequently diffuse into the silicate cores. We applied the phyllosilicate formation to a zero-dimensional chemical model and to a 2D protoplanetary disk model (PRODIMO). The disk model includes in addition to the cold and warm surface chemistry continuum and line radiative transfer, photoprocesses (photodissociation, photoionisation, and photodesorption), gas-phase cold and warm chemistry including three-body reactions, and detailed thermal balance. Results. Despite the high energy barrier for water chemisorption on silicate grain surfaces and for diffusion into the core, the chemisorption sites at the surfaces can be occupied by a hydroxyl bond (-OH) at all gas and dust temperatures from 80 to 700 K for a gas density of 2 × 104 cm-3. The chemisorption sites in the silicate cores are occupied at temperatures between 250 and 700 K. At higher temperatures thermal desorption of chemisorbed water occurs. The occupation efficiency is only limited by the maximum water uptake of the silicate. The timescales for complete hydration are at most 105 yr for 1 mm radius grains at a gas density of 108 cm-3. Conclusions. Phyllosilicates can be formed on dust grains at the dust coagulation stage in protoplanetary disks within 1 Myr. It is however not clear whether the amount of phyllosilicate formed by warm surface chemistry is sufficient compared to that found in Solar System objects.@en

Context. The origin of the reservoirs of water on Earth is debated. The Earth's crust may contain at least three times more water than the oceans. This crust water is found in the form of phyllosilicates, whose origin probably differs from that of the oceans. Aims. We test the possibility to form phyllosilicates in protoplanetary disks, which can be the building blocks of terrestrial planets. Methods. We developed an exploratory rate-based warm surface chemistry model where water from the gas-phase can chemisorb on dust grain surfaces and subsequently diffuse into the silicate cores. We applied the phyllosilicate formation to a zero-dimensional chemical model and to a 2D protoplanetary disk model (PRODIMO). The disk model includes in addition to the cold and warm surface chemistry continuum and line radiative transfer, photoprocesses (photodissociation, photoionisation, and photodesorption), gas-phase cold and warm chemistry including three-body reactions, and detailed thermal balance. Results. Despite the high energy barrier for water chemisorption on silicate grain surfaces and for diffusion into the core, the chemisorption sites at the surfaces can be occupied by a hydroxyl bond (-OH) at all gas and dust temperatures from 80 to 700 K for a gas density of 2 × 104 cm-3. The chemisorption sites in the silicate cores are occupied at temperatures between 250 and 700 K. At higher temperatures thermal desorption of chemisorbed water occurs. The occupation efficiency is only limited by the maximum water uptake of the silicate. The timescales for complete hydration are at most 105 yr for 1 mm radius grains at a gas density of 108 cm-3. Conclusions. Phyllosilicates can be formed on dust grains at the dust coagulation stage in protoplanetary disks within 1 Myr. It is however not clear whether the amount of phyllosilicate formed by warm surface chemistry is sufficient compared to that found in Solar System objects.@en

Context. The origin of the reservoirs of water on Earth is debated. The Earth's crust may contain at least three times more water than the oceans. This crust water is found in the form of phyllosilicates, whose origin probably differs from that of the oceans. Aims. We test the possibility to form phyllosilicates in protoplanetary disks, which can be the building blocks of terrestrial planets. Methods. We developed an exploratory rate-based warm surface chemistry model where water from the gas-phase can chemisorb on dust grain surfaces and subsequently diffuse into the silicate cores. We applied the phyllosilicate formation to a zero-dimensional chemical model and to a 2D protoplanetary disk model (PRODIMO). The disk model includes in addition to the cold and warm surface chemistry continuum and line radiative transfer, photoprocesses (photodissociation, photoionisation, and photodesorption), gas-phase cold and warm chemistry including three-body reactions, and detailed thermal balance. Results. Despite the high energy barrier for water chemisorption on silicate grain surfaces and for diffusion into the core, the chemisorption sites at the surfaces can be occupied by a hydroxyl bond (-OH) at all gas and dust temperatures from 80 to 700 K for a gas density of 2 × 104 cm-3. The chemisorption sites in the silicate cores are occupied at temperatures between 250 and 700 K. At higher temperatures thermal desorption of chemisorbed water occurs. The occupation efficiency is only limited by the maximum water uptake of the silicate. The timescales for complete hydration are at most 105 yr for 1 mm radius grains at a gas density of 108 cm-3. Conclusions. Phyllosilicates can be formed on dust grains at the dust coagulation stage in protoplanetary disks within 1 Myr. It is however not clear whether the amount of phyllosilicate formed by warm surface chemistry is sufficient compared to that found in Solar System objects.@en

Context. The origin of the reservoirs of water on Earth is debated. The Earth's crust may contain at least three times more water than the oceans. This crust water is found in the form of phyllosilicates, whose origin probably differs from that of the oceans. Aims. We test the possibility to form phyllosilicates in protoplanetary disks, which can be the building blocks of terrestrial planets. Methods. We developed an exploratory rate-based warm surface chemistry model where water from the gas-phase can chemisorb on dust grain surfaces and subsequently diffuse into the silicate cores. We applied the phyllosilicate formation to a zero-dimensional chemical model and to a 2D protoplanetary disk model (PRODIMO). The disk model includes in addition to the cold and warm surface chemistry continuum and line radiative transfer, photoprocesses (photodissociation, photoionisation, and photodesorption), gas-phase cold and warm chemistry including three-body reactions, and detailed thermal balance. Results. Despite the high energy barrier for water chemisorption on silicate grain surfaces and for diffusion into the core, the chemisorption sites at the surfaces can be occupied by a hydroxyl bond (-OH) at all gas and dust temperatures from 80 to 700 K for a gas density of 2 × 104 cm-3. The chemisorption sites in the silicate cores are occupied at temperatures between 250 and 700 K. At higher temperatures thermal desorption of chemisorbed water occurs. The occupation efficiency is only limited by the maximum water uptake of the silicate. The timescales for complete hydration are at most 105 yr for 1 mm radius grains at a gas density of 108 cm-3. Conclusions. Phyllosilicates can be formed on dust grains at the dust coagulation stage in protoplanetary disks within 1 Myr. It is however not clear whether the amount of phyllosilicate formed by warm surface chemistry is sufficient compared to that found in Solar System objects.@en

Context. The origin of the reservoirs of water on Earth is debated. The Earth's crust may contain at least three times more water than the oceans. This crust water is found in the form of phyllosilicates, whose origin probably differs from that of the oceans. Aims. We test the possibility to form phyllosilicates in protoplanetary disks, which can be the building blocks of terrestrial planets. Methods. We developed an exploratory rate-based warm surface chemistry model where water from the gas-phase can chemisorb on dust grain surfaces and subsequently diffuse into the silicate cores. We applied the phyllosilicate formation to a zero-dimensional chemical model and to a 2D protoplanetary disk model (PRODIMO). The disk model includes in addition to the cold and warm surface chemistry continuum and line radiative transfer, photoprocesses (photodissociation, photoionisation, and photodesorption), gas-phase cold and warm chemistry including three-body reactions, and detailed thermal balance. Results. Despite the high energy barrier for water chemisorption on silicate grain surfaces and for diffusion into the core, the chemisorption sites at the surfaces can be occupied by a hydroxyl bond (-OH) at all gas and dust temperatures from 80 to 700 K for a gas density of 2 × 104 cm-3. The chemisorption sites in the silicate cores are occupied at temperatures between 250 and 700 K. At higher temperatures thermal desorption of chemisorbed water occurs. The occupation efficiency is only limited by the maximum water uptake of the silicate. The timescales for complete hydration are at most 105 yr for 1 mm radius grains at a gas density of 108 cm-3. Conclusions. Phyllosilicates can be formed on dust grains at the dust coagulation stage in protoplanetary disks within 1 Myr. It is however not clear whether the amount of phyllosilicate formed by warm surface chemistry is sufficient compared to that found in Solar System objects.@en

Context. The origin of the reservoirs of water on Earth is debated. The Earth's crust may contain at least three times more water than the oceans. This crust water is found in the form of phyllosilicates, whose origin probably differs from that of the oceans. Aims. We test the possibility to form phyllosilicates in protoplanetary disks, which can be the building blocks of terrestrial planets. Methods. We developed an exploratory rate-based warm surface chemistry model where water from the gas-phase can chemisorb on dust grain surfaces and subsequently diffuse into the silicate cores. We applied the phyllosilicate formation to a zero-dimensional chemical model and to a 2D protoplanetary disk model (PRODIMO). The disk model includes in addition to the cold and warm surface chemistry continuum and line radiative transfer, photoprocesses (photodissociation, photoionisation, and photodesorption), gas-phase cold and warm chemistry including three-body reactions, and detailed thermal balance. Results. Despite the high energy barrier for water chemisorption on silicate grain surfaces and for diffusion into the core, the chemisorption sites at the surfaces can be occupied by a hydroxyl bond (-OH) at all gas and dust temperatures from 80 to 700 K for a gas density of 2 × 104 cm-3. The chemisorption sites in the silicate cores are occupied at temperatures between 250 and 700 K. At higher temperatures thermal desorption of chemisorbed water occurs. The occupation efficiency is only limited by the maximum water uptake of the silicate. The timescales for complete hydration are at most 105 yr for 1 mm radius grains at a gas density of 108 cm-3. Conclusions. Phyllosilicates can be formed on dust grains at the dust coagulation stage in protoplanetary disks within 1 Myr. It is however not clear whether the amount of phyllosilicate formed by warm surface chemistry is sufficient compared to that found in Solar System objects.@en

Context. The origin of the reservoirs of water on Earth is debated. The Earth's crust may contain at least three times more water than the oceans. This crust water is found in the form of phyllosilicates, whose origin probably differs from that of the oceans. Aims. We test the possibility to form phyllosilicates in protoplanetary disks, which can be the building blocks of terrestrial planets. Methods. We developed an exploratory rate-based warm surface chemistry model where water from the gas-phase can chemisorb on dust grain surfaces and subsequently diffuse into the silicate cores. We applied the phyllosilicate formation to a zero-dimensional chemical model and to a 2D protoplanetary disk model (PRODIMO). The disk model includes in addition to the cold and warm surface chemistry continuum and line radiative transfer, photoprocesses (photodissociation, photoionisation, and photodesorption), gas-phase cold and warm chemistry including three-body reactions, and detailed thermal balance. Results. Despite the high energy barrier for water chemisorption on silicate grain surfaces and for diffusion into the core, the chemisorption sites at the surfaces can be occupied by a hydroxyl bond (-OH) at all gas and dust temperatures from 80 to 700 K for a gas density of 2 × 104 cm-3. The chemisorption sites in the silicate cores are occupied at temperatures between 250 and 700 K. At higher temperatures thermal desorption of chemisorbed water occurs. The occupation efficiency is only limited by the maximum water uptake of the silicate. The timescales for complete hydration are at most 105 yr for 1 mm radius grains at a gas density of 108 cm-3. Conclusions. Phyllosilicates can be formed on dust grains at the dust coagulation stage in protoplanetary disks within 1 Myr. It is however not clear whether the amount of phyllosilicate formed by warm surface chemistry is sufficient compared to that found in Solar System objects.@en

Context. Endogenous or exogenous, dry or wet, various scenarios have been depicted for the origin of water on the rocky bodies in our solar system. Hydrated silicates found in meteorites and in interplanetary dust particles, together with observations of abundant water reservoirs in the habitable zone of protoplanetary disks, are evidence that support aqueous alteration of silicate dust grains by water vapor condensation in a nebular setting. Aims. We investigate the thermodynamics (temperature and pressure dependencies) and kinetics (adsorption rates and energies, surface diffusion and cluster formation) of water adsorption on surfaces of forsterite grains, constraining the location in the solar nebula where aqueous alteration of silicates by water vapor adsorption can occur efficiently and leads to the formation of phyllosilicates. We analyze the astrophysical conditions favorable for such hydration mechanism and the implications for water on solid bodies. Methods. The protoplanetary disk model (ProDiMo) code is tuned to simulate the thermochemical disk structure of the early solar nebula at three evolutionary stages. Pressure, temperature, and water vapor abundance within 1 au of the protosun were extracted and used as input for a Monte Carlo code to model water associative adsorption using adsorption energies that resemble the forsterite [1 0 0] crystal lattice. Results. Hydration of forsterite surfaces by water vapor adsorption could have occurred within the nebula lifetime already at a density of 10 8 cm -3 , with increasing surface coverage for higher water vapor densities. Full surface coverage is attained for temperatures lower than 500 K, while for hotter grain surfaces water cluster formation plays a crucial role. Between 0.5 and 10 Earth oceans can arise from the agglomeration of hydrated 0.1 μm grains into an Earth-sized planet. However, if grain growth occurs dry and water vapor processes the grains afterward, this value can decrease by two orders of magnitude. Conclusions. This work shows that water cluster formation enhances the water surface coverage and enables a stable water layer to form at high temperature and low water vapor density conditions. Finally, surface diffusion of physisorbed water molecules shortens the timescale for reaching steady state, enabling phyllosilicate formation within the solar nebula timescale. @en

Context. Endogenous or exogenous, dry or wet, various scenarios have been depicted for the origin of water on the rocky bodies in our solar system. Hydrated silicates found in meteorites and in interplanetary dust particles, together with observations of abundant water reservoirs in the habitable zone of protoplanetary disks, are evidence that support aqueous alteration of silicate dust grains by water vapor condensation in a nebular setting. Aims. We investigate the thermodynamics (temperature and pressure dependencies) and kinetics (adsorption rates and energies, surface diffusion and cluster formation) of water adsorption on surfaces of forsterite grains, constraining the location in the solar nebula where aqueous alteration of silicates by water vapor adsorption can occur efficiently and leads to the formation of phyllosilicates. We analyze the astrophysical conditions favorable for such hydration mechanism and the implications for water on solid bodies. Methods. The protoplanetary disk model (ProDiMo) code is tuned to simulate the thermochemical disk structure of the early solar nebula at three evolutionary stages. Pressure, temperature, and water vapor abundance within 1 au of the protosun were extracted and used as input for a Monte Carlo code to model water associative adsorption using adsorption energies that resemble the forsterite [1 0 0] crystal lattice. Results. Hydration of forsterite surfaces by water vapor adsorption could have occurred within the nebula lifetime already at a density of 10 8 cm -3 , with increasing surface coverage for higher water vapor densities. Full surface coverage is attained for temperatures lower than 500 K, while for hotter grain surfaces water cluster formation plays a crucial role. Between 0.5 and 10 Earth oceans can arise from the agglomeration of hydrated 0.1 μm grains into an Earth-sized planet. However, if grain growth occurs dry and water vapor processes the grains afterward, this value can decrease by two orders of magnitude. Conclusions. This work shows that water cluster formation enhances the water surface coverage and enables a stable water layer to form at high temperature and low water vapor density conditions. Finally, surface diffusion of physisorbed water molecules shortens the timescale for reaching steady state, enabling phyllosilicate formation within the solar nebula timescale. @en