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The free energy change associated with dissolving a solute in a liter of solvent is called the free energy of a solution, ΔGsolution. The overall ΔGsolution is expressed as the balance of ΔGinteraction against the always-favorable free-energy of mixing, ΔGmixing. Solution formation is favorable if  ΔGsolution is less than zero, whereas it is unfavorable if ΔGsolution is greater than zero. In short, for a solution to form and complete dissolution to take place,...
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The formation of a solution is an example of a spontaneous process, a process that occurs under specified conditions without energy from some external source.
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Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.
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The process of surrounding a solute with solvent is called solvation. It involves evenly distributing the solute within the solvent. The rule of thumb for determining a solvent for a given compound is that like dissolves like. A good solvent has molecular characteristics similar to those of the compound to be dissolved. For example, polar solutions dissolve polar solutes, and apolar solvents dissolve apolar solutes. A polar solvent is a solvent that has a high dielectric constant (ϵ...
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Self-assembly in mixtures with competing interactions.

Oksana Patsahan1, Marek Litniewski2, Alina Ciach2

  • 1Institute for Condensed Matter Physics, National Academy of Sciences of Ukraine, Lviv, Ukraine.

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|February 15, 2021
PubMed
Summary

This study explores particle mixtures using theory and molecular dynamics simulations, revealing microsegregation and layered structures. These findings offer insights into complex fluid phase behavior.

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Area of Science:

  • Soft Matter Physics
  • Computational Chemistry
  • Materials Science

Background:

  • Investigating binary particle mixtures with complex interactions is crucial for understanding microsegregation.
  • Near-critical solvents and charged particles introduce unique challenges in predicting mixture behavior.

Purpose of the Study:

  • To develop a predictive theory for structural and thermodynamic properties of binary particle mixtures.
  • To investigate the impact of concentration fluctuations on phase diagrams.
  • To analyze the formation and characteristics of layered structures in ordered phases.

Main Methods:

  • Combining density functional theory and field-theoretical methods for theoretical predictions.
  • Employing molecular dynamics (MD) simulations to validate theoretical models.
  • Analyzing particle interactions with short-range attraction/repulsion and long-range repulsion/attraction.

Main Results:

  • Concentration fluctuations qualitatively alter phase diagrams compared to mean-field predictions.
  • Coexistence of low-density disordered and high-density layered phases observed.
  • Ordered phases exhibit crystalline structure in solids and are absent in liquid crystals.
  • Density and order decrease with temperature; a narrow two-phase region emerges at higher temperatures.

Conclusions:

  • The developed theory accurately predicts microsegregation and phase behavior in complex binary mixtures.
  • Layered structures form with distinct characteristics in solid and liquid crystalline states.
  • Temperature significantly influences the density, order, and shape of ordered phases.