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Gas-liquid interface of a Lennard-Jones binary mixture controlled by differential activity: phase transition and
Mohammed Elismaili1, David Gonzalez-Rodriguez1, Hong Xu2
1Université de Lorraine, LCP-A2MC, F-57000 Metz, France.
The European Physical Journal. E, Soft Matter
|October 26, 2022
Summary
Differential activity in binary mixtures can destabilize or create new interfaces. Low activity ratios destabilize existing interfaces, while moderate ratios induce partial crystallization and triple phase coexistence.
Area of Science:
- Physics
- Materials Science
- Chemical Engineering
Background:
- Binary mixtures of Lennard-Jones particles exhibit complex behaviors under varying conditions.
- Previous research indicated that high activity ratios in homogeneous systems lead to segregation.
- Understanding interfacial dynamics is crucial for various scientific and engineering applications.
Purpose of the Study:
- To investigate the impact of differential scalar activity on pre-existing gas-liquid interfaces in a two-dimensional binary mixture.
- To explore how varying activity ratios influence interfacial stability and phase behavior.
- To identify potential links between idealized model systems and real-world biological interfacial phenomena.
Main Methods:
- Molecular dynamics simulations were employed to model a two-dimensional binary mixture of Lennard-Jones particles.
- Differential scalar activity was introduced by assigning distinct effective temperatures to the two particle species.
- The system's initial state featured a gas-liquid interface and complete segregation at thermodynamic equilibrium.
Main Results:
- High activity ratios promoted the formation of new interfaces within the system.
- Low activity ratios were observed to destabilize pre-existing gas-liquid interfaces.
- Moderate differential activities led to partial crystallization, resulting in triple phase coexistence (solid, liquid, and gas).
Conclusions:
- Differential activity significantly alters interfacial behavior in binary mixtures, with effects dependent on the activity ratio.
- The formation of triple phase coexistence under moderate differential activity is a key finding.
- This study provides insights into interfacial dynamics that may be relevant to understanding biological systems.
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