298.2 ! Temperature (K)
100.0e0 ! uncompensated resistance (ohms)
0.50 ! E_start (V)
-0.50 ! E_rev (V)
1 ! number of cycles
1.0e0 ! scan speed (V/s)
14 ! 2^N points in time across n cycles (int)
0 ! correct vscan and freq for DigiPot/FFT (1 = yes, 0 for no)
1 ! output type: 0=E,i,t; 1=DigiPot compatible
0 ! EC type: 0 = Butler-Volmer, 1 = Marcus theory
0 ! Pre-equilibrium switch: 0=stay with user entered, 1 = apply Pre-eqm operation
0 ! fix number of timesteps (1 = yes; 0 = no)
4000 ! Use a fixed number of timesteps rather than 2^N
0.10 ! beta
10.0 ! Dstar_min
0.005e0 ! max voltage step
25.6e0 ! time resolution experimentally to correct vscan/f (us)
0 ! show extra output files as well as MECSimOutput.txt (1=yes; 0=no)
0 ! use advanced voltage ramp (0 = E_start=E_end, 1 = use advanced ramp below, 2=From file "EInput.txt")
2 ! number of E_rev lines for advanced ramp (if enter 0 then first E_rev value is the final time
0.0 ! E_start (V)
0.0 ! E_end (V)
0.50 ! E_rev - REPEAT for more complicated ramps
-0.50 ! E_rev - REPEAT for more complicated ramps
1 ! Geometry type (1=planar, 2=spherical, 3=cylinder, 4=RDE)
1.0e0 ! Planar: surface area of electrode (cm^2)
1.0e0 ! Number of spheres (can be fractional)
1.0e-4 ! Radius of single sphere (cm)
0.50e0 ! Number of cylinders (can be fractional)
0.001e0 ! Radius of single cylinder (cm)
0.10e0 ! Length of single cylinder (cm)
100.0 ! Spacial Resolution (>20)
1.0e-1 ! RDE radius (cm)
1.0e2 ! RDE rotation speed (rad/s)
1.0e-5 ! RDE kinematic viscosity (cm^2/s)
1 ! number of AC sources to add (keep 1 with zero amplitude if want DC only)
20.0e0, 180.0e0 ! AC sin wave: amp (mV), freq(Hz) (REPEAT)
3 ! number of species (need n lines below)
1.0e-6, 1.0e-5, 0 ! REPEAT: initial concentration of i (mol/cm3 or mol/cm2 if SC), Diffusion coeff for i, D_i [cm2/s], surface confined (=1 for yes, else in solution)
0.0e0, 1.0e-5, 0 ! REPEAT: initial concentration of i (mol/cm3 or mol/cm2 if SC), Diffusion coeff for i, D_i [cm2/s], surface confined (=1 for yes, else in solution)
0.0e0, 1.0e-5, 0 ! REPEAT: initial concentration of i (mol/cm3 or mol/cm2 if SC), Diffusion coeff for i, D_i [cm2/s], surface confined (=1 for yes, else in solution)
4 ! maximum a^n term for a capacitance given by C = a_0 + a_1 V + a_2 V^2 + ... + a_n V^n, where V = Eapp - iR - Epzc. Make sure there are enough lines below to go to a^n
0.0e0 ! Epzc (Volts)
1.0e-4 ! a_0 term (F/cm^2)
0.0e0 ! a_1 term
1.0e-4 ! a_2 term
0.0e0 ! a_3 term
0.0e0 ! a_4 term
0, -1, 1, 0, 1.0e0, 1.0e0, 0.0e0, 1.0e4, 0.50e0 ! type, reactions (nsp times): kf,kb, E0 (V),ksreal (cm/s), alpha for BV or lambda* for MH (1eV) (REPEAT FOR EACH REACTION)
1, 0, -1, 1, 1.0e4, 1.0e2, 0.0e0, 1.0e4, 0.50e0 ! type, reactions (nsp times): kf,kb, E0 (V),ksreal (cm/s), alpha for BV or lambda* for MH (1eV) (REPEAT FOR EACH REACTION)