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Solid–Solid Solutions01:24

Solid–Solid Solutions

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The temperature-composition phase diagram of two solids, A and B, which are immiscible in the solid phase but form miscible liquids, shows that when the temperature is low, these two exist as separate, pure solids (A and B). As the temperature increases, they transition into a single-phase liquid solution where A and B coexist. Moving from point a1 to a2 in the phase diagram, the composition changes such that solid B begins to separate from the solution, enriching the remaining liquid with A.
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Solubility03:00

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Solution, Solubility, and Solubility Equilibrium
A solution is a homogeneous mixture composed of a solvent, the major component, and a solute, the minor component. The physical state of a solution—solid, liquid, or gas—is typically the same as that of the solvent. Solute concentrations are often described with qualitative terms such as dilute (of relatively low concentration) and concentrated (of relatively high concentration).
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There is no one solvent that can dissolve every type of solute. Some substances that readily dissolve in a certain solvent might be insoluble in a different solvent. A simple way to predict which substances dissolve in which solvent is the phrase "like dissolves like". This means that polar substances, such as salt and sugar, dissolve in a polar substance like water. In contrast, non-polar substances are more soluble in non-polar solvents such as carbon tetrachloride.
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The formation of a solution is an example of a spontaneous process, which is a process that occurs under specified conditions without energy from some external source.
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A solvent is a substance, most often a liquid, that can dissolve other substances. Here, the substance being dissolved is called a solute. When a solvent and a solute combine, they form a solution - a homogenous mixture of both the solvent and the solute. Water is a universal biological solvent. Its polar structure allows it to dissolve many other polar compounds. The ability of water to dissolve is governed by a balance between water molecules binding to each other and binding to the solute.
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Preparation of Binary and Ternary Deep Eutectic Systems
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Deep eutectic solvents: similia similibus solvuntur?

Stefan Zahn1

  • 1Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, Linnéstraße 2, 04103 Leipzig, Germany. stefan.zahn@uni-leipzig.de.

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|January 24, 2017
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Summary
This summary is machine-generated.

Deep eutectic solvents like reline (urea and choline chloride) offer eco-friendly alternatives. Molecular dynamics reveal similar charge distributions, not just hydrogen bonds, drive their unique interactions and low melting point.

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Area of Science:

  • Chemistry
  • Materials Science
  • Physical Chemistry

Background:

  • Deep eutectic solvents (DES) are cost-effective and sustainable alternatives to ionic liquids.
  • Reline, a mixture of urea and choline chloride, is a widely studied DES.

Purpose of the Study:

  • To investigate the intermolecular interactions in reline using ab initio molecular dynamics simulations.
  • To understand the structural and dynamic properties contributing to reline's low melting point.

Main Methods:

  • Ab initio molecular dynamics (AIMD) simulations were performed on reline.
  • Analysis focused on spatial distribution, charge interactions, and hydrogen bond dynamics.

Main Results:

  • Beyond hydrogen bonds, similar charge distributions on the chloride anion and urea oxygen atom influence choline interactions.
  • Absence of migrating clusters supports the "similia similibus solvuntur" hypothesis.
  • The hydroxyl group of choline exhibits rigid interactions with hydrogen bond acceptors.

Conclusions:

  • Multiple similar interactions, including charge-based ones, govern reline's structure and dynamics.
  • Specific urea hydrogen atoms facilitate fast hydrogen bond acceptor dynamics, crucial for the low melting point.