Effective potential for three-body forces in fluids

Guzmán, Orlando; Rı́o, Fernando del; Ramos, J. Eloy

doi:10.1080/00268976.2011.559484

Cited by 18 publications

(6 citation statements)

References 37 publications

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“…This procedure, however, often generates many-body forces, beyond the linear superposition of basic pairwise forces. This kind of nonadditivity is present in various systems such as colloidal suspensions [1][2][3][4][5][6][7][8], systems governed by quantum-electrodynamic Casimir forces [9][10][11][12][13][14], polymers [15][16][17][18][19], granular systems [20][21][22], nematic colloids [23], and noble gases or nanoparticles with van der Waals forces acting among them [24][25][26][27][28][29][30][31].…”

Section: Introductionmentioning

confidence: 99%

Three-body critical Casimir forces

2015

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Within mean-field theory we calculate universal scaling functions associated with critical Casimir forces for a system consisting of three parallel cylindrical colloids immersed in a near-critical binary liquid mixture. For several geometrical arrangements and boundary conditions at the surfaces of the colloids we study the force between two colloidal particles in the direction normal to their axes, analyzing the influence of the presence of a third particle on that force. Upon changing temperature or the relative positions of the particles we observe interesting features such as a change of sign of this force caused by the presence of the third particle. We determine the three-body component of the forces acting on one of the colloids by subtracting the pairwise forces from the total force. The three-body contribution to the total critical Casimir force turns out to be more pronounced for small surface-to-surface distances between the colloids as well as for temperatures close to criticality. Moreover, we compare our results with similar ones for other physical systems such as three atoms interacting via van der Waals forces.

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Section: Introductionmentioning

confidence: 99%

Three-body critical Casimir forces

2015

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“…There are several possible routes to design and parametrize a many-body force field. A possible choice consists of supplementing a high-quality ab initio pair potential with a 3-body Axilrod–Teller–Muto term , to model the ab initio 3-body exchange and dispersion interactions. , Many-body potentials are now being extensively developed for a wide range of systems, − including molecular systems, − such as, e.g., water, − alkanes or amines, , and even peptides . Many-body force fields have been shown to lead to very promising results, e.g., for condensed-phase properties ,− or phase equilibria properties. ,− Much less is known, however, on the impact of 3-body interactions on other thermodynamic properties, such as, e.g., the Gibbs free energy and the entropy.…”

Section: Introductionmentioning

confidence: 99%

Many-Body Effects on the Thermodynamics of Fluids, Mixtures, and Nanoconfined Fluids

Desgranges

Delhommelle

2015

J. Chem. Theory Comput.

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Using expanded Wang-Landau simulations, we show that taking into account the many-body interactions results in sharp changes in the grand-canonical partition functions of single-component systems, binary mixtures, and nanoconfined fluids. The many-body contribution, modeled with a 3-body Axilrod-Teller-Muto term, results in shifts toward higher chemical potentials of the phase transitions from low-density phases to high-density phases and accounts for deviations of more than, e.g., 20% of the value of the partition function for a single-component liquid. Using the statistical mechanics formalism, we analyze how this contribution has a strong impact on some properties (e.g., pressure, coexisting densities, and enthalpy) and a moderate impact on others (e.g., Gibbs or Helmholtz free energies). We also characterize the effect of the 3-body terms on adsorption isotherms and adsorption thermodynamic properties, thereby providing a full picture of the effect of the 3-body contribution on the thermodynamics of nanoconfined fluids.

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“…The EHP model can reproduce the thermodynamic and transport properties of the HFD-like fluids in good agreement with experimental data [22]. It is also shown that the EHP many-body potential is superior to the three-body potentials of Wang and Sadus [36] and Guzman et al [37] for the different molecules.…”

Section: Introductionmentioning

confidence: 50%