Hi everyone;

I am using mesoscale modules to simulate polymer aggregation in water. Aggregation and agglomeration are usually simulated using the Hamaker form of VdW potential [1] or the DLVO theory [2], however, Mesoscite DPD uses VdW soft sphere model. I tried to change the VdW equations using the forcefield creator in the Mesocite model, but obviously we can't change the equation form, just the parameters, so, here are my questions;

1) Is there a way to scale/convert the London Van der Waals equations into the Hamaker VdW equation (or into DLVO VdW model), either by adding it or changing it, in the mesocale simulation?, perhaps by using perl coding?

2) Is the soft sphere model used in Mesocite DPD suitable to study the aggregation of polymer in the mesoscale level?

3) Are there other modules more suitable for mesoscopic modlisation of the aggregation process? otherwise, can we code our own functional forms using perl?

Sorry if my questions are too novice, I am a beginner at Meterial Studio.

Thank you in advance

Jarray

[1] Siubhan A. MacPherson et al, THE KINETICS OF COLLOIDAL AGGREGATION – EFFECT OF HAMAKER CONSTANT AND BROWNIAN FORCES, The University of Newcastle 2308, Australia.

[2] M. Cerbelaud et al, Simulation of the heteroagglomeration between highly size-asymmetric ceramic particles, Journal of Colloid and Interface Science 332 (2009) 360–365.