Influence of Capillary Bridge Formation onto the Silica Nanoparticle Interaction Studied by Grand Canonical Monte Carlo Simulations
نویسندگان
چکیده
Adhesion forces between nanoparticles strongly depend on the amount of adsorbed condensed water from ambient atmosphere. Liquid water forms bridges in the cavities separating the particles, giving rise to the so-called capillary forces which in most cases dominate the van der Waals and long-range electrostatic interactions. Capillary forces promote the undesirable agglomeration of particles to large clusters, thereby hindering the flowability of dry powders in process containers. In process engineering macroscopic theories based on the Laplace pressures are used to estimate the strength of the capillary forces. However, especially for low relative humidity and when the wetting of rough or small nanoparticles is studied, those theories can fail. Molecular dynamic simulations can help to give better insight into the water-particle interface. The simulated force versus distance curve as well as adhesion forces and the adsorption isotherm for silica nanoparticles at varying relative humidity will be discussed in comparison to experiments, theories, and simulations.
منابع مشابه
Separation-Based Adsorption of H2 from Binary Mixtures inside Single, Double, Triple Walled Boron-Nitride Nanotubes: A Grand- Canonical Monte-Carlo Study
This study investigates the separation based on adsorption of the binary gas mixture of hydrogen withbiogas (gases: CO2, CH4, O2, N2) and inert gases (gases: He, Ne, and Ar) using single-walled ((7,7), (15,15),(29,29), (44,44), (58,58) and (73,73) SWBNNTs), double-walled ((11,11)@(15,15), (7,7)@(22,22) DWBNNTs)and triple walled ((8,8)@(11,11)@(15,15) and (7,7)@(15,15)@(22,22) ...
متن کاملMonte Carlo Simulation for the Formation and Growth of Low Dimensionality Phases During Underpotential Deposition of Ag on Au(100)
Simulation studies are undertaken for the system Ag/Au(100) by means of grand canonical Monte Carlo applied to a large lattice system. The interactions are calculated using the embedded atom model. The formation of adsorbed Ag phases of low dimensionality on Ag(100) is investigated and the influence of surface defects on the shape of the adsorption isotherms is studied. The results of the simul...
متن کاملUsing Grand Canonical Monte Carlo simulations based on a tight binding model for the covalent interactions and on a physisorption
متن کامل
Adsorption of monovalent and divalent cations on planar water-silica interfaces studied by optical reflectivity and Monte Carlo simulations.
Adsorption on planar silica substrates of various monovalent and divalent cations from aqueous solution is studied by optical reflectivity. The adsorbed amount is extracted by means of a thin slab model. The experimental data are compared with grand canonical Monte Carlo titration simulations at the primitive model level. The surface excess of charge due to adsorbed cations is found to increase...
متن کاملStudy on interaction between carbon nanotubes (CNTs) as nano carrier for loading and delivery of Methotrexate
The Methotrexate delivery by carbon nanotubes (CNTs) and the structural changes of drugcombination upon the carbon nanotubes and bio thermodynamic of the drug have been studied by molecularcomputational methods. Computational molecular methods have been fulfilled by molecular mechanics methods with four force field, and semi empirical with all methods. We investigate different param...
متن کامل