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[lammps-users] Force field for chemical reactions
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[lammps-users] Force field for chemical reactions

From: Amir Hossein Saeedi <asaeedi@...7272...>
Date: Fri, 15 Dec 2017 18:08:00 +0000

Hi All

Is it possible to simulate chemical reactions in LAMMPS?

I've not seen such capabilities ever. But, I've heard of some reaction force fields.

In brief, I aim to simulate processes such as salt dissolution/precipitation, or fuel combustion.

With Kind Regards

Saeedi Dehaghani Amir Hossein
Assistant Professor 
Department of Petroleum Engineering
Faculty of Chemical Engineering
Tarbiat Modares University
Address: Tarbiat Modares University, Jalal Ale Ahmad Highway, Gisha Bridge, Tehran, Iran
Mob: +98-9122892230
Tel: +98 21 82883350
Fax: +98 21 82883350