From the frontiers of research on ice dynamics in its broadest sense, this review surveys the structures of ice, the patterns or morphologies it may assume, and the physical and chemical processes in which it is involved. Open questions in the various fields of ice research in nature are highlighted, ranging from terrestrial and oceanic ice on Earth, to ice in the atmosphere, to ice on other Solar System bodies and in interstellar space.

/pdf/ice-structures-patterns-and-processes-a-view-across-the-9o4wyo062y.pdf

Ice structures, patterns, and processes: A view across the icefields

A molecular dynamics simulation with a mixed time‐dependent quantum‐classical treatment is carried out for the adsorption of HCl on the (0001) surface of ice. All six coordinates of the HCl molecule are considered with two important coordinates, the vibrational coordinate r of HCl and the distance Z between the center of mass of HCl and the ice surface, treated quantally by a grid method with absorbing boundaries. The other coordinates of HCl and all coordinates of the water molecules of ice are treated classically except the intramolecular vibrational motions which are frozen. The results show that treating the two coordinates r and Z quantally is necessary in order to describe the adsorption accurately. The interaction spectra as well as other detailed dynamical information from the simulation are presented. An adsorption energy of 25 kJ/mol is obtained and compared with previous calculation and experiments. The energy transfer between HCl and the ice surface is also calculated. An effort is made to pro...

Time‐dependent wave‐packet studies on the sticking of HCl to an ice surface

Intense infrared absorptions of small particles suspended in a dissimilar medium show effects that allow one to deduce, at least in principle, the morphology of the particles. These effects have their origins in the discontinuity in optical constants at the surface of the particle, and may be described analytically when the particles are spherical or ellipsoidal. This paper addresses the problems that arise when the particles under consideration are crystalline and have sharp edges and corners. Analytical descriptions are not available for such cases and it is shown that a numerical implementation the current standard electrostatic approach does not converge for cubes. However, convergence can be obtained by chamfering the edges and corners of the simulated particle. Experimental spectra are reported for suspended microcrystallites of sulfur hexafluoride and of carbon dioxide. The spectra were simulated using a variety of morphologies and it is concluded that the sulphur hexafluoride particles were cubes while the carbon dioxide particles were cuboctahedra.

The influence of morphology on the vibrational spectra of crystalline aerosols : sf6 and co2

Fourier transform infrared spectra of acetylene and carbon dioxide cocondensed in a diffusive trapping cell are presented, and interpreted in terms of the stoichiometric phase CO2.(C2H2)2. Simulations show that this novel phase is formed when the degrees of supersaturation of the constituent gases are of comparable values.

Vibrational spectroscopy of cocrystallized carbon dioxide and acetylene

An investigation of orientation effects in films of nitric acid trihydrate (NAT) is presented, based on a systematic study of reflection–absorption infrared spectra of samples of varying thickness. The samples are prepared by vapor deposition on an Al substrate at 90 K and annealing at 175 K to produce crystalline α-NAT films. Spectra were recorded at a grazing angle of 75°, with polarized radiation. The observed spectra are compared with predictions of a classical Fresnel model, in order to test the available optical indices of NAT, which are of great importance for the accurate interpretation of data from remote sensing measurements. Whereas a similar procedure yielded satisfactory results for water ice, it is found that the agreement is not acceptable for NAT crystals. An explanation is suggested in terms of anisotropic or birefringent properties of the crystals, or as due to a preferential alignment of the films. The infrared activity of a peak at ≈1140 cm−1, which had previously been associated to changes in the crystal structure upon heating, is here explained in terms of a rearrangement of the polycrystals in the sample.

/pdf/investigation-of-orientation-effects-in-films-of-nitric-acid-4rkgjgrvae.pdf

Investigation of orientation effects in films of nitric acid trihydrate

A flow cell built to simulate heterogeneous reactions in the stratosphere is described. Small particles (∼1 μm diameter) have been made from nitric acid solutions and distilled water. These have many of the important physical properties of types I and II polar stratospheric clouds (PSCs), respectively. The FTIR spectra of the ice particles are compared with calculated extinction (scattering plus absorption) spectra to obtain an estimate of their size distributions. The average particle size can be controlled by varying the flow conditions. The nitric acid particles have not been as well characterized, because the required optical constants are not yet available. Their spectra, however, have the characteristics expected for type I PSCs, and resemble those previously reported for thin-film nitric acid trihydrate.

Laboratory simulation of polar stratospheric clouds

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Laboratory simulation of polar stratospheric clouds