14.3. Discrete Element Method with van der Waals Forces

After enabling beta features as described in Introduction, you can account for van der Waals forces in 3D cases that involve discrete element method (DEM). Including van der Waals forces in DEM simulations is most important for particle diameters smaller than 40 to 100 micron.


Note:  This capability is not supported in 2D.


Based on the studies of London [3] and Hamaker [1], the van der Waals interaction potential for two spherical particles, , can be calculated by [2]:

(14–1)

where: 
  = Hamaker constant.
  = surface-to-surface distance between the two interacting particles.
  and = radii of the two interacting particles. For particle-wall interactions, is considered to be infinity.

can be calculated by:

where and are the Hamaker constants of the materials of the two particles, respectively.

The van der Waals force acting on a particle located at by another particle located at is calculated by:

(14–2)

This is a force of attraction with the magnitude of the partial derivative of with respect to that points from the center of the first particle to the center of the second particle, . For particle-wall interaction, the van der Waals force points in the direction of the shortest distance between the particle and the wall.

To avoid a singularity problem in Equation 14–2 when the particle surfaces are in contact (that is, =0), the van der Waals force of attraction is clipped, that is it stops increasing, as the particle separation drops below a user-specified value, force-limiting-distance.

To model van der Waals forces during DEM particle-particle or particle-wall interactions:

  1. In the DEM Collision Settings dialog box (that opens by clicking Set... in the DEM Collisions dialog box), from the Van Der Waals drop-down list, select van-der-waals-hamaker.

  2. Specify the following force law parameters:

    • hamaker-constant: in Equation 14–1. Default value: 1e-19 J.

    • force-limiting-distance: is used to define an upper limit for the van der Waals force. Default value: 6e-10 m.

Bibliography

[1] H. C. Hamaker. "The London – van der Waals attraction between spherical particles". In: Physica IV. 10. 1058–1072. 1937.

[2] C.-J. Lin, W.-C. J. Wei, T. Iwai, C.-W. Hong, and P. Greil. "Discrete Element Method (DEM) Simulation and Processing of Mo/AL2O3 Granules in Fluidizing Bed". Proc. Nat. Sci. Counc. RAOC(A). 24. 5. 394-404. 2000.

[3] F. London. "The general theory of molecular forces". Trans. Faraday Soc.. 33. 8-26. 1937.