Adsorption Isotherms I
Adsorption Isotherms II
Adsorption of Gases on Solids
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Updated: May 3, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
O A Pinto1, B López de Mishima1, M Dávila2
1Centro de Investigaciones y Transferencia de Santiago del Estero (CITSE), Universidad Nacional de Santiago de Estero-CONICET, Ruta Nacional 9, Km 1125, Villa el Zanjón, 4206, Santiago del Estero, Argentina.
We studied how particles stick to nanoparticles using simulations. Particle interactions and nanoparticle shape significantly affect adsorption thermodynamics.
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