Hard core Yukawa potential

The hard core Yukawa potential has two forms, the attractive Yukawa potential:

$\Phi _{12}\left(r\right)=\left\{{\begin{array}{lll}\infty &;&r<\sigma \\-\left({\frac {\epsilon \sigma }{r}}\right)\exp \left[-\kappa \left({\frac {r}{\sigma }}-1\right)\right]&;&r\geq \sigma \end{array}}\right.$

and the repulsive form

$\Phi _{12}\left(r\right)=\left\{{\begin{array}{lll}\infty &;&r<\sigma \\\left({\frac {\epsilon \sigma }{r}}\right)\exp \left[-\kappa \left({\frac {r}{\sigma }}-1\right)\right]&;&r\geq \sigma \end{array}}\right.$

where $\Phi \left(r\right)$ is the intermolecular pair potential, $r:=|\mathbf {r} _{1}-\mathbf {r} _{2}|$ is the distance between site 1 and site 2, $\sigma$ is the hard diameter, $\epsilon$ is the energy well depth ($\epsilon >0$), and $\kappa$ is a parameter that controls the interaction range ($\kappa >0$).

The repulsive form has been used to study charge-stabilised colloid-colloid interactions.

Critical point

For the attractive form of the potential, from a study of the law of corresponding states, one has (Eq. 3 in )

$P_{c}=0.0228+0.0742T_{c}$

and (Eq. 4)

$\rho _{c}=0.2534+0.071{\frac {1}{T_{c}}}$

The repulsive form of the potential has no critical point.

Triple points

The triple points for this model have been studied by Azhar and co-workers .

Virial coefficients

For the attractive form of the potential the virial coefficients have been calculated by Naresh and Singh .

Surface tension

Surface tension .

Radial distribution function

Radial distribution function

Phase diagram

Phase diagram

Density-functional theory

Density-functional theory .

Two-term Yukawa potentials

Both the attractive and the repulsive form have been combined to produce the hard-sphere plus two Yukawa (H2Y) or hard-core double-Yukawa (HCDY) potential .

References

Related reading

• J. Torres-Arenas, L. A. Cervantes, A. L. Benavides, G. A. Chapela, and F. del Río "Discrete perturbation theory for the hard-core attractive and repulsive Yukawa potentials", Journal of Chemical Physics 132 034501 (2010)
• Pedro Orea, Carlos Tapia-Medina, Davide Pini, and Albert Reiner "Thermodynamic properties of short-range attractive Yukawa fluid: Simulation and theory", Journal of Chemical Physics 132 114108 (2010)
• Eun-Young Kim, Soon-Chul Kim, and Baek-Seok Seong "Structure and thermodynamics of hard-core Yukawa fluids: Thermodynamic perturbation approaches", Journal of Chemical Physics 135 034505 (2011)