On Hamaker constants: A comparison between Hamaker constants and Lifshitz-van der Waals constants
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Hamaker constant
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The derivation of the van der Waals parameters for the aliphatic CH united atoms of the GROMOS96 force field is presented. The parameters n have been adjusted to reproduce the experimental enthalpies of vaporization and vapor pressures or densities of a set of nine alkanes in the liquid state at 298 . K or at the boiling point in the case of methane , using a cutoff radius for the van der Waals interactions of 1. 6n m .Force fields to be used in molecular simulations are bound to the conditions chosen for their parametrization, for example, the temperature, the densities of the systems included in the calibration set, or the cutoff radius used for the nonbonded interactions. Van der Waals parameters for the CH united atoms of earlier GROMOS force fields were n developed using a cutoff radius of 0.8 nm for the van der Waals interactions. Because the van der Waals interaction energy between aliphatic groups separated by distances between 0.8 and 1.4 nm is not negligible at liquid densities, the use of these parameters in combination with longer cutoffs leads to an overestimation of the attractive van der Waals interaction energy. The relevance of this excess attraction depends on the size of the groups that are interacting, as well as on their local densities. Free energies of hydration have been calculated for five alkanes. Q 1998 John Wiley & Sons, Inc. J Comput Chem 19: 535)547, 1998
Hamaker constant
Force Field
Cut-off
London dispersion force
Boiling point
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Hamaker constant
Tension (geology)
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There is always a temperature T0 for every van der Waals' gas. When TT0, the isotherm determined by van der Waals' equation will have a section of p0. In that case, the isotherm determined by van der Waals' equation should be amended so that Maxwell's rule can be used to deal with the problem of liquidvapour trasition.
Hamaker constant
DLVO theory
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A calculation of the surface tension of simple fluids based on the Van der Waals model of Van Kampen is presented. The result is found to be in excellent agreement with experiment. No adjustable parameters are used.
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Tension (geology)
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This chapter contains sections titled: Van der Waals Forces Between Molecules The Van der Waals Force Between Macroscopic Solids The Derjaguin Approximation Retarded Van der Waals Forces Measurement of Van der Waals Forces The Casimir Force Summary Exercises
Hamaker constant
London dispersion force
DLVO theory
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Hamaker constant
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Hamaker constant
Ideal gas law
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When the Van der Waals equation of state is valid for a real gas bubble in a liquid, the bubble radius will decrease by diffusion until the Van der Waals forces are in stable equilibrium with the surface tension.
Hamaker constant
DLVO theory
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Hamaker constant
Self-diffusion
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In analogy with the well-known theory for fluids a van der Waals theory for solids is proposed. It is shown that, in agreement with recent predictions, the competition between the van der Waals loop of the fluid and the van der Waals loop of the solid can produce three different types of phase diagrams for a simple fluid. This could be of relevance to the phase behavior of colloidal dispersions.
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DLVO theory
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