ANN for the equilibrium values of binary adsorption

Published: 13 February 2020| Version 1 | DOI: 10.17632/2jdnx2pfys.1
Olga Jakšić


For known kinetic parameters, trained on the numerical solutions to coupled Riccati equations, ANN gives the pair of steady state values for the components in a binary mixture.


Steps to reproduce

Functions aim to be used in MathWorks MATLAB environment with Optimiyation toolbox. script4newANNsteadyNe1Ne2.m can be adapted to train another networks. Function funANNsteadyNL.m gives the steady state values of the number of adsorbed molecules of a binary mixture in equilibrium. Input data is a 7xQ matrix of kinetic parameters where columns are ka1 ka2 kd1 kd2 No1 No2 M They are the parameters of the reaction rate equation set: N1'=ka1*No1*(M-N1-N2)-kd1*N1 N2'=ka2*No2*(M-N1-N2)-kd2*N2


Software, Chemical Kinetics at Interfaces