TY - JOUR
T1 - Quantitative analysis of phase formation and growth in ternary mixtures upon evaporation of one component
AU - Muntean, Stela Andrea
AU - Kronberg, Vì
AU - Colangeli, Matteo
AU - Muntean, Adrian
AU - van Stam, Jan
AU - Moons, Ellen
AU - Cirillo, Emilio N.M.
PY - 2022/8/5
Y1 - 2022/8/5
N2 - We perform a quantitative analysis of Monte Carlo simulation results of phase separation in ternary blends upon evaporation of one component. Specifically, we calculate the average domain size and plot it as a function of simulation time to compute the exponent of the obtained power law. We compare and discuss results obtained by two different methods, for three different models: two-dimensional (2D) binary-state model (Ising model), 2D ternary-state model with and without evaporation. For the ternary-state models, we study additionally the dependence of the domain growth on concentration, temperature and initial composition. We reproduce the expected 1/3 exponent for the Ising model, while for the ternary-state model without evaporation and for the one with evaporation we obtain lower values of the exponent. It turns out that phase separation patterns that can form in this type of systems are complex. The obtained quantitative results give valuable insights towards devising computable theoretical estimations of size effects on morphologies as they occur in the context of organic solar cells.
AB - We perform a quantitative analysis of Monte Carlo simulation results of phase separation in ternary blends upon evaporation of one component. Specifically, we calculate the average domain size and plot it as a function of simulation time to compute the exponent of the obtained power law. We compare and discuss results obtained by two different methods, for three different models: two-dimensional (2D) binary-state model (Ising model), 2D ternary-state model with and without evaporation. For the ternary-state models, we study additionally the dependence of the domain growth on concentration, temperature and initial composition. We reproduce the expected 1/3 exponent for the Ising model, while for the ternary-state model without evaporation and for the one with evaporation we obtain lower values of the exponent. It turns out that phase separation patterns that can form in this type of systems are complex. The obtained quantitative results give valuable insights towards devising computable theoretical estimations of size effects on morphologies as they occur in the context of organic solar cells.
UR - http://www.scopus.com/inward/record.url?scp=85136300291&partnerID=8YFLogxK
U2 - 10.1103/PhysRevE.106.025306
DO - 10.1103/PhysRevE.106.025306
M3 - Article
C2 - 36109888
SN - 1539-3755
VL - 106
JO - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
JF - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
IS - 2
M1 - 025306
ER -