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Updated: Jul 8, 2026
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Orientational Transition in a Liquid Crystal Triggered by the Thermodynamic Growth of Interfacial Wetting Sheets
Published on: May 15, 2017
Interfacial Nucleation Pathways Governing Polymorph Selection Revealed by Synchrotron-Based In Situ GIWAXS and
Yu Liu1,2, Xu Zhang1,3, Xingfan Zhang3
1School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, People's Republic of China.
Journal of the American Chemical Society
|July 7, 2026
Summary
The gas-liquid interface controls organic crystallization, influencing which crystal form (polymorph) emerges based on solution concentration. This study reveals how interfacial molecular arrangements dictate specific polymorph selection during crystallization.
Area of Science:
- Physical Chemistry
- Materials Science
- Crystallography
Background:
- Gas-liquid interfacial nucleation's role in organic crystallization is not fully understood.
- Polymorph selection mechanisms in crystallization require further elucidation.
Purpose of the Study:
- To investigate the mechanistic role of gas-liquid interfacial nucleation in polymorph selection.
- To understand concentration-dependent polymorphism in flufenamic acid solutions.
Main Methods:
- In situ synchrotron-based grazing-incidence wide-angle X-ray scattering (GIWAXS).
- Molecular dynamics (MD) simulations.
- Hybrid quantum mechanics/molecular mechanics (QM/MM) calculations.
Main Results:
- Gas-liquid interfacial nucleation governs polymorph selection in flufenamic acid.
- Concentration dictates the emergent polymorph: Form I (low), Form III (high), Form IV (intermediate).
- Distinct interfacial molecular evolution pathways correlate with specific polymorph formation.
Conclusions:
- The gas-liquid interface actively selects structures prior to nucleation.
- Interfacial molecular organization significantly influences crystallization outcomes.
- Provides a framework for controlling polymorphism in evaporation-driven crystallization.
