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1.
Phys Chem Chem Phys ; 26(22): 16296-16308, 2024 Jun 06.
Artigo em Inglês | MEDLINE | ID: mdl-38804833

RESUMO

The mass accommodation coefficient αM of water on aqueous triethylene glycol droplets was determined for water mole fractions in the range xmol = 0.1-0.93 and temperatures between 21 and 26 °C from modulated Mie scattering measurement on single optically-trapped droplets in combination with a kinetic multilayer model. αM reaches minimum values around 0.005 at a critical water concentration of xmol = 0.38, and increases with decreasing water content to a value of ≈0.1 for almost pure triethylene glycol droplets, essentially independent of the temperature. Above xmol = 0.38, αM first increases with increasing water content and then stabilises at a value of ≈0.1 at the lowest temperatures, while at the highest temperature its value remains around 0.005. We analysed the unexpected concentration and temperature dependence with a previously proposed two-step model for mass accommodation which provides concentration and temperature-dependent activation enthalpies and entropies. We suggest that the unexpected minimum in αM at intermediate water concentrations might arise from a more or less saturated hydrogen-bond network that forms at the droplet surface.

2.
J Phys Chem A ; 127(41): 8544-8555, 2023 Oct 19.
Artigo em Inglês | MEDLINE | ID: mdl-37794760

RESUMO

Using a pulsed Stern-Gerlach deflection experiment, we present the results of a comparative study on the magnetic properties of neutral sodium-doped solvent clusters Na(Sol)n with n = 1-4 (Sol: H2O, NH3, CH3OH, CH3OCH3). Experimental deflection ratios are compared with values calculated from molecular dynamics simulations. NaNH3 and NaH2O are deflected as a spin 1/2 system, consistent with spin transitions occurring on a time scale significantly longer than 100 µs. For all other clusters, reduced deflection is observed. The observed magnetic deflection behavior is correlated to the number of thermally populated rotational states in the clusters. We discuss that spin-rotational couplings allow for avoided crossings and a reduction in the effective magnetic moment of the cluster. This work attempts to understand the evolution of magnetic properties in isolated weakly bound clusters and is relevant to diamagnetic and paramagnetic species expected to exist in solvated electron systems.

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