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Energetics of Solution Formation02:35

Energetics of Solution Formation

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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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Electricity is generated by either electrons or ions flowing through a solution or a conducting medium. This flow of electrons or specifically electrical charge is defined as an electric current. When electrons move through a wire, they generate an electric current. It can be recalled  that in a redox reaction, electrons are lost and gained. In the spontaneous redox reaction of zinc  with copper, when zinc is immersed in a copper ion solution, a transfer of electrons from one substance to...
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Mitochondrial protein import is powered by two distinct energy sources: ATP hydrolysis and electrochemical potential across the inner membrane. Newly synthesized precursors are bound by cytosolic chaperones of the Hsp70 family, which guide them to the import receptors on the mitochondrial surface. Utilizing the energy of ATP hydrolysis, Hsp70 chaperones transfer these precursors to the TOM receptors on the mitochondrial outer membrane.
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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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Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
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Preparation and Reactivity of Gasless Nanostructured Energetic Materials
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Evaluating the Energetic Driving Force for Cocrystal Formation.

Christopher R Taylor1, Graeme M Day1

  • 1School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.

Crystal Growth & Design
|February 16, 2018
PubMed
Summary
This summary is machine-generated.

Cocrystallization is almost always thermodynamically favorable, with organic cocrystals being more stable than their individual components. Predicting cocrystal stability using simple chemical descriptors remains challenging, highlighting the need for advanced computational methods.

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Area of Science:

  • Solid-state chemistry
  • Materials science
  • Computational chemistry

Background:

  • Cocrystals offer tunable material properties.
  • Predicting cocrystal formation and stability is crucial for materials design.
  • Previous studies often lacked high-level computational analysis.

Purpose of the Study:

  • To computationally assess the thermodynamic stability of a large set of organic cocrystals.
  • To identify factors influencing cocrystal stability.
  • To evaluate the predictive power of simple chemical descriptors for cocrystal stability.

Main Methods:

  • Periodic density functional theory (DFT) calculations.
  • Comparative analysis of 350 organic cocrystals versus their single-component structures.
  • Investigation of stability correlations with packing efficiency and hydrogen bond strength.

Main Results:

  • Cocrystals are, on average, 8 kJ mol-1 more stable than their constituent components.
  • Cocrystallization is thermodynamically favorable in over 95% of cases studied.
  • Stability is not strongly correlated with the presence of hydrogen or halogen bonds, nor simple descriptors like packing efficiency or hydrogen bond strength.

Conclusions:

  • Cocrystallization is a generally favorable process.
  • Simple chemical intuition and descriptors are insufficient for accurately predicting cocrystal stability.
  • High-level computational methods are essential for understanding and predicting cocrystal behavior.