DOI > 10.5291/ILL-DATA.5-25-244

This proposal is publicly available since 10/18/2020

Title

SANS Studies of the Structural Evolution of Para-Aminobenzoic Acid during Solution Crystallisation and Phase Transformations

Abstract

Crystallisation of materials is a key step in chemical synthesis as a means of purification and phase separation. However, the initial stage of crystallisation, involving nucleation of molecules to form molecular clusters from a supersaturated solution is not fully understood. The results from this work will elucidate the thermodynamics and kinetics associated with such processes and the effect this has on the crystal properties, e.g. polymorphic form, and growth rate. This experiment will build on SAXS data using para aminobenzoic acid as a representative material, to probe the structural evolution of single molecules to molecular clusters through to nano-sized crystallites. SAXS results suggested a mechanism involving progression from monomer through dimers to more extended structures. SANS will be used to probe both the low-Q region which could not be elucidated from SAXS data and also the high-Q region where evidence suggesting the presence of pre-nucleation clustering, which have been previously predicted and are critical to fully elucidating the crystallisation mechanism. SANS will be used to elucidate the structure/ dynamics of such intermediate systems.

Experimental Report

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Data Citation

The recommended format for citing this dataset in a research publication is in the following format:

DOWDING Peter; GRILLO Isabelle; LAI Xiaojun; LEWTAS Kenneth; ROBERTS Kevin; STEYTLER David; TANG Xue; TURNER Thomas and WILLIS Colin. (2015). SANS Studies of the Structural Evolution of Para-Aminobenzoic Acid during Solution Crystallisation and Phase Transformations. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-25-244

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Metadata

Experiment Parameters

Sample Parameters

  • Formula

    • ethanol-d6
    • Para-Aminobenzoic Acid