We numerically calculate the equilibrium phase diagram of one-patch particles with 30% patch coverage. It has been previously shown that in the fluid phase these particles organize into extremely long tubelike aggregates (G. Munao et al. Soft Matter 2013, 9, 2652). Here, we demonstrate by means of free-energy calculations that such a disordered tube phase, despite forming spontaneously from the fluid phase below a density-dependent temperature, is always metastable against a lamellar crystal. We also show that a crystal of infinitely long packed tubes is thermodynamically stable, but only at high pressure. The full phase diagram of the model, beside the fluid phase, displays four different stable crystals. A gas-liquid critical point, and hence a liquid phase, is not detected.
Phase Diagram of One-Patch Colloids Forming Tubes and Lamellae / Preisler, Zdenek; Vissers, Teun; Smallenburg, Frank; Munao', Gianmarco; G., Munaoi; Gianmarco, Munao; Sciortino, Francesco. - In: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL. - ISSN 1520-6106. - 117:32(2013), pp. 9540-9547. [10.1021/jp404053t]
Phase Diagram of One-Patch Colloids Forming Tubes and Lamellae
PREISLER, ZDENEK;VISSERS, TEUN;SMALLENBURG, FRANK;MUNAO', GIANMARCO;SCIORTINO, Francesco
2013
Abstract
We numerically calculate the equilibrium phase diagram of one-patch particles with 30% patch coverage. It has been previously shown that in the fluid phase these particles organize into extremely long tubelike aggregates (G. Munao et al. Soft Matter 2013, 9, 2652). Here, we demonstrate by means of free-energy calculations that such a disordered tube phase, despite forming spontaneously from the fluid phase below a density-dependent temperature, is always metastable against a lamellar crystal. We also show that a crystal of infinitely long packed tubes is thermodynamically stable, but only at high pressure. The full phase diagram of the model, beside the fluid phase, displays four different stable crystals. A gas-liquid critical point, and hence a liquid phase, is not detected.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.