Discontinuous Structural Transitions in Fluids with Competing Interactions
This paper explores how competing interactions in the intermolecular potential of fluids affect their structural transitions. This study employs a versatile potential model with a hard core followed by two constant steps, representing wells or shoulders, analyzed in both one-dimensional (1D) and thr...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2025-01-01
|
| Series: | Entropy |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1099-4300/27/1/95 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1832588462500347904 |
|---|---|
| author | Ana M. Montero Santos B. Yuste Andrés Santos Mariano López de Haro |
| author_facet | Ana M. Montero Santos B. Yuste Andrés Santos Mariano López de Haro |
| author_sort | Ana M. Montero |
| collection | DOAJ |
| description | This paper explores how competing interactions in the intermolecular potential of fluids affect their structural transitions. This study employs a versatile potential model with a hard core followed by two constant steps, representing wells or shoulders, analyzed in both one-dimensional (1D) and three-dimensional (3D) systems. Comparing these dimensionalities highlights the effect of confinement on structural transitions. Exact results are derived for 1D systems, while the rational function approximation is used for unconfined 3D fluids. Both scenarios confirm that when the steps are repulsive, the wavelength of the oscillatory decay of the total correlation function evolves with temperature either continuously or discontinuously. In the latter case, a discontinuous oscillation crossover line emerges in the temperature–density plane. For an attractive first step and a repulsive second step, a Fisher–Widom line appears. Although the 1D and 3D results share common features, dimensionality introduces differences: these behaviors occur in distinct temperature ranges, require deeper wells, or become attenuated in 3D. Certain features observed in 1D may vanish in 3D. We conclude that fluids with competing interactions exhibit a rich and intricate pattern of structural transitions, demonstrating the significant influence of dimensionality and interaction features. |
| format | Article |
| id | doaj-art-0dac2c5f9885424bae918c11000d863d |
| institution | Kabale University |
| issn | 1099-4300 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Entropy |
| spelling | doaj-art-0dac2c5f9885424bae918c11000d863d2025-01-24T13:31:59ZengMDPI AGEntropy1099-43002025-01-012719510.3390/e27010095Discontinuous Structural Transitions in Fluids with Competing InteractionsAna M. Montero0Santos B. Yuste1Andrés Santos2Mariano López de Haro3Departamento de Física, Universidad de Extremadura, E-06006 Badajoz, SpainDepartamento de Física, Universidad de Extremadura, E-06006 Badajoz, SpainDepartamento de Física, Universidad de Extremadura, E-06006 Badajoz, SpainInstituto de Energías Renovables, Universidad Nacional Autónoma de México (UNAM), Temixco 62580, MexicoThis paper explores how competing interactions in the intermolecular potential of fluids affect their structural transitions. This study employs a versatile potential model with a hard core followed by two constant steps, representing wells or shoulders, analyzed in both one-dimensional (1D) and three-dimensional (3D) systems. Comparing these dimensionalities highlights the effect of confinement on structural transitions. Exact results are derived for 1D systems, while the rational function approximation is used for unconfined 3D fluids. Both scenarios confirm that when the steps are repulsive, the wavelength of the oscillatory decay of the total correlation function evolves with temperature either continuously or discontinuously. In the latter case, a discontinuous oscillation crossover line emerges in the temperature–density plane. For an attractive first step and a repulsive second step, a Fisher–Widom line appears. Although the 1D and 3D results share common features, dimensionality introduces differences: these behaviors occur in distinct temperature ranges, require deeper wells, or become attenuated in 3D. Certain features observed in 1D may vanish in 3D. We conclude that fluids with competing interactions exhibit a rich and intricate pattern of structural transitions, demonstrating the significant influence of dimensionality and interaction features.https://www.mdpi.com/1099-4300/27/1/95competing interactionssquare wellsquare shoulderdiscontinuous structural crossover transitionsFisher–Widom linerational function approximation |
| spellingShingle | Ana M. Montero Santos B. Yuste Andrés Santos Mariano López de Haro Discontinuous Structural Transitions in Fluids with Competing Interactions Entropy competing interactions square well square shoulder discontinuous structural crossover transitions Fisher–Widom line rational function approximation |
| title | Discontinuous Structural Transitions in Fluids with Competing Interactions |
| title_full | Discontinuous Structural Transitions in Fluids with Competing Interactions |
| title_fullStr | Discontinuous Structural Transitions in Fluids with Competing Interactions |
| title_full_unstemmed | Discontinuous Structural Transitions in Fluids with Competing Interactions |
| title_short | Discontinuous Structural Transitions in Fluids with Competing Interactions |
| title_sort | discontinuous structural transitions in fluids with competing interactions |
| topic | competing interactions square well square shoulder discontinuous structural crossover transitions Fisher–Widom line rational function approximation |
| url | https://www.mdpi.com/1099-4300/27/1/95 |
| work_keys_str_mv | AT anammontero discontinuousstructuraltransitionsinfluidswithcompetinginteractions AT santosbyuste discontinuousstructuraltransitionsinfluidswithcompetinginteractions AT andressantos discontinuousstructuraltransitionsinfluidswithcompetinginteractions AT marianolopezdeharo discontinuousstructuraltransitionsinfluidswithcompetinginteractions |