Crystallization and phase-separation in non-additive binary hard-sphere mixtures

TL;DR

This paper presents the first comprehensive phase diagram for asymmetric non-additive binary hard-sphere mixtures, revealing how non-additivity influences crystallization and phase separation, with key parameters controlling the phase behavior.

Contribution

It provides the first full phase diagram for asymmetric non-additive hard-sphere mixtures, highlighting the role of non-additivity in phase behavior.

Findings

Non-additivity significantly impacts crystallization.

Fluid-fluid phase separation is affected by non-additivity.

The phase diagram topology is governed by an effective size ratio.

Abstract

We calculate for the first time the full phase-diagram of an asymmetric non-additive hard-sphere mixture. The non-additivity strongly affects the crystallization and the fluid-fluid phase-separation. The global topology of the phase-diagram is controlled by an effective size-ratio y_{eff}, while the fluid-solid coexistence scales with the depth of the effective potential well.