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Stationary-phase contributions to surface diffusion at C8-modified silica mesoporesRybka, Julia, Höltzel, Alexandra, Trebel, Nicole, Tallarek, Ulrich 05 March 2020 (has links)
The structure, dynamics, and mobility of binary solvents and solute molecules at adsorbent surfaces play
an important role in adsorption, catalysis, and separation. When investigating chemical systems,
information gained by experimental data is often limited to the macroscopic view. Molecular dynamics
(MD) simulations allow new insights on molecular processes and offer the possibility to study the
molecular-level picture at solid-liquid interfaces in detail.
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