Scattering, trapping, and ionization of HCI at the surface of liquid glycerol

Article Abstract:

The aim of the study is to develop a potential energy surface that can describe the scattering and trapping of HCI at the glycerol surface, provide molecular insight into the mechanism of trapping, and examine the possibility of ionic dissociation at the interface region. The potential of mean force for HCI in bulk and surface glycerol shows a low barrier to formation of contact ion pair, suggesting the possibility of proton exchange at the interface.

Science & research, All Other Basic Organic Chemical Manufacturing, CHEMICALS AND ALLIED PRODUCTS, Glycerine, Research, Hydrogen chloride, Protons, Glycerol, Structure, Glycerin

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Hydration shell exchange dynamics during ion transfer across the liquid/liquid interface

Article Abstract:

The rate and mechanism of water molecules exchange around the Li(super +) and Na(super +) ions during ion transfer across the interface between water and nitrobenzene is examined using molecular dynamics simulations. Simulation of the reversed process, in which the hydrated Li(super +) ion is transferred to the aqueous phase, shows the same general behavior as a function of location from the interface.

Primary Smelting and Refining of Nonferrous Metal (except Copper and Aluminum), Industrial inorganic chemicals, not elsewhere classified, Lithium, Ions, Lithium (Metal)

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Photodissociation and vibrational relaxation of OCIO at liquid surfaces

Article Abstract:

An attempt is made to study the photodissociation dynamics of OCIO to O+CIO on the (super 2)A(sub 2) excited state and the vibrational relaxation of OCIO in the ground electronic state at the interface of several polar liquids, using classical molecular dynamics computer simulations.

Chlorine oxides, Relaxation (Nuclear physics)

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