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Author Paganini, Iván E. ♦ Pastorino, Claudio ♦ Urrutia, Ignacio
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ♦ MATHEMATICAL METHODS AND COMPUTING ♦ ADSORPTION ♦ COLLOIDS ♦ CORRELATION FUNCTIONS ♦ DENSITY ♦ INTERACTIONS ♦ MIXTURES ♦ MOLECULAR DYNAMICS METHOD ♦ PARTICLES ♦ PHASE DIAGRAMS ♦ POLYMERS ♦ SIMULATION ♦ SPHERICAL CONFIGURATION ♦ SQUARE-WELL POTENTIAL ♦ THERMODYNAMIC PROPERTIES
Abstract We study a system of few colloids confined in a small spherical cavity with event driven molecular dynamics simulations in the canonical ensemble. The colloidal particles interact through a short range square-well potential that takes into account the basic elements of attraction and excluded-volume repulsion of the interaction among colloids. We analyze the structural and thermodynamic properties of this few-body confined system in the framework of inhomogeneous fluids theory. Pair correlation function and density profile are used to determine the structure and the spatial characteristics of the system. Pressure on the walls, internal energy, and surface quantities such as surface tension and adsorption are also analyzed for a wide range of densities and temperatures. We have characterized systems from 2 to 6 confined particles, identifying distinctive qualitative behavior over the thermodynamic plane T − ρ, in a few-particle equivalent to phase diagrams of macroscopic systems. Applying the extended law of corresponding states, the square well interaction is mapped to the Asakura-Oosawa model for colloid-polymer mixtures. We link explicitly the temperature of the confined square-well fluid to the equivalent packing fraction of polymers in the Asakura-Oosawa model. Using this approach, we study the confined system of few colloids in a colloid-polymer mixture.
ISSN 00219606
Educational Use Research
Learning Resource Type Article
Publisher Date 2015-06-28
Publisher Place United States
Journal Journal of Chemical Physics
Volume Number 142
Issue Number 24


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