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Related Concept Videos

Recrystallization: Solid–Solution Equilibria01:10

Recrystallization: Solid–Solution Equilibria

Recrystallization is a purification technique used to separate impurities from solid compounds. In this technique, no chemical reactions occur. Instead, it exploits physical properties only, specifically, the solubility differences between the desired compound and impurities, either at a single temperature or at different temperatures, and under other selected conditions. The solid-solution equilibrium (solubility equilibrium) of each component in the solution represents a binary phase...
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The experimental conditions in a gravimetric analysis should be optimized to maximize the particle size and purity of the obtained precipitate. Ideally, the concentration of the precipitating reagent should be low with effective stirring to maintain low relative supersaturation for the growth of large crystals. In homogeneous precipitation, the precipitant is slowly generated by a chemical reaction in the solution to avoid local reagent excesses. For example, urea decomposes gradually to...
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Precipitate Formation and Particle Size Control

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Molecular Weight of Step-Growth Polymers

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Polymer Classification: Crystallinity

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Optimizing the Growth of Endothiapepsin Crystals for Serial Crystallography Experiments
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Evidence for a size dependent nucleation mechanism in solid state polymorph transformations.

Gregg T Beckham1, Baron Peters, Bernhardt L Trout

  • 1Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA.

The Journal of Physical Chemistry. B
|June 6, 2008
PubMed
Summary
This summary is machine-generated.

Crystal size dictates the solid-state polymorph transformation mechanism in terephthalic acid. Larger crystals shift from global distortion to local corner nucleation, revealing size-dependent mechanistic regimes.

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Area of Science:

  • Solid-state chemistry
  • Materials science
  • Computational chemistry

Background:

  • Polymorph transformations are critical in materials science.
  • Understanding the molecular mechanisms of these transitions is essential for controlling material properties.
  • Previous studies on terephthalic acid polymorph transformation focused on smaller crystal sizes.

Purpose of the Study:

  • To determine the molecular mechanism of solid-state polymorph transformation in terephthalic acid.
  • To investigate the influence of crystal size on the transformation mechanism.
  • To explore the utility of aimless shooting and likelihood maximization for identifying complex reaction coordinates.

Main Methods:

  • Applied aimless shooting and likelihood maximization techniques.
  • Analyzed over 500 candidate order parameters.
  • Examined a range of crystal sizes, extending previous work.
  • Investigated the transition from global distortion to corner nucleation mechanisms.

Main Results:

  • A size-dependent change in the polymorph transformation mechanism was observed.
  • For larger crystals, a local corner nucleation mechanism dominates.
  • This corner nucleation mechanism minimizes interfacial area and involves nonspherical domains.
  • The findings indicate distinct mechanistic regimes for nucleation based on crystal size.

Conclusions:

  • Crystal size is a critical factor governing polymorph transformation mechanisms.
  • Corner nucleation represents a size-dependent regime distinct from classical nucleation theory.
  • Aimless shooting and likelihood maximization are effective for elucidating complex molecular mechanisms in solid-state systems.