Dear Mohammad,

You may check the following publication:

ReaxFF+—A New Reactive Force Field Method for the Accurate Description of Ionic Systems and Its Application to the Hydrolyzation of Aluminosilicates

J. Phys. Chem. C, 2016, 120 (20), pp 10849–10856

DOI: 10.1021/acs.jpcc.6b00720

Publication Date (Web): May 04, 2016

http://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.6b00720

Hoping this will be helpful,

Rafik

You may refer to following paper: http://pubs.acs.org/doi/abs/10.1021/jp311534e

This maybe too late but perhaps this force field could be compatible with your intended simulations?

CHONSSiNaFZr.ff: (C/H/O/N/S/Si/Na/F/Zr)A.Rahnamoun and A.C.T. van Duin Reactive Molecular Dynamics Simulation on the Disintegration of Kapton, POSS Polyimide, Amorphous Silica, and Teflon during Atomic Oxygen Impact Using the Reaxff Reactive Force-Field Method J. Phys. Chem. A, 2014, 118 (15), pp 2780-2787

In fact I found one potential eventually which worked pretty good. I have published a paper recently using this potential which worked equally well for calcium silicate hydrate (CSH) and also geopolymer (a hydrated aluminosilicate). Thank you for the complete list of ReaxFF references - this will be really helpful for me and also for someone else in future.

Here is the link to my latest paper using the ReaxFF potential-

https://www.sciencedirect.com/science/article/pii/S0927025618302829

"Reactive molecular dynamics simulation of the mechanical behavior of sodium aluminosilicate geopolymer and calcium silicate hydrate composites". (2018), Computational Material Science, vol 150, pages 500-509.