rates_calc.h

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/*----------------------------------------------------------------------------------------
PAPRECA hybrid off-lattice kinetic Monte Carlo/Molecular dynamics simulator.
Copyright (C) 2024 Stavros Ntioudis, James P. Ewen, Daniele Dini, and C. Heath Turner
 
This program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License
as published by the Free Software Foundation; either version 2
of the License, or (at your option) any later version.
 
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
GNU General Public License for more details.
 
You should have received a copy of the GNU General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301, USA.
----------------------------------------------------------------------------------------*/
 
 
#ifndef RATES_CALC_H
#define RATES_CALC_H
 
//system headers
#include <cmath>
 
namespace PAPRECA{
 
    double getRateFromArrhenius( const double &activation_energy , const double &attempt_freq , const double &temperature );
    double getDepoRateFromHertzKnudsen( const double &pressure , const double &ads_area , const double &ads_mass , const double &temperature );
    double getDesorptionRate( const double &activation_energy , const double &temperature );
    
}//end of PAPRECA namespace
 
#endif