Drug release investigated by Monte Carlo simulations
authors: Márcio Sampaio Gomes Filho
Fernando Albuquerque Oliveira
Marco Aurélio A. Barbosa
-> Two dimension lattice model
-> code: drugrelease.c
-> Some of the results produced by the code were published in the reference:
GOMES FILHO, M. S., OLIVEIRA, F. A., BARBOSA, M. A. A. A statistical mechanical model for drug release: Inves-
tigations on size and porosity dependence, Physica A: Statistical Mechanics and its Applications, v. 460, p. 29-37, 2016.
ISSN: 0378-4371.
1) For compile the code and set the parameters (run in terminal):
./run.sh
This generating a example:
L = 10 (size of sistem - square lattice)
p = 15 (Number of porous -> lambda = p/4L)
N_0 = 100 (Initial number of particles - N_0 = L x L)
s = 1000 (Number of simulations - mean and standart desviation)
t = 1000 (Monte Carlo step)
i = 2 (step to print)
f = 0.99 (stop the simulation when the 99% of release )
2) OUTPUT:
# tempo de simulação: 0.660571 (segundos) = 0.000183 (horas) ---> Parâmetros de entrada: -lx: 10, -ly: 10, -p: 15, -t: 10000.000, -s: 1000, -i: 2, -f: 0.999900
0 100
2 93.829000 2.041509
4 89.029000 2.401283
6 84.776000 2.667550
8 80.987000 2.889434
10 77.651000 3.096320
12 74.305000 3.234807
14 71.297000 3.305872
16 68.454000 3.498555
18 65.718000 3.743324
20 63.180000 3.910192
.
.
.
368 0.020000 0.198997
370 0.018000 0.188881
372 0.018000 0.188881
374 0.014000 0.166745
376 0.014000 0.166745
378 0.012000 0.154454