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Abstract <p>The formation of pre-nucleation clusters in KD<sub>2</sub>PO<sub>4</sub> crystallization solutions was studied using small-angle X-ray scattering in the temperature range of 5–90°C, covering almost the entire area of existence of heavy water solutions for a large set of concentrations of the crystallized compound (335–950 mg/mL). Two types of KD<sub>2</sub>PO<sub>4</sub> pre-nucleation clusters were found: octamers and tetramers, and the regions of existence of each of these types were established. Octamers are formed mainly in the low-temperature range of D<sub>2</sub>O solutions (4–50°C), whereas tetramers are present in the temperature range of 30–90°C; the total proportion of oligomers in the solution increases with decreasing temperature. A change in the KD<sub>2</sub>PO<sub>4</sub> concentration maintains the above trend but changes the temperature ranges and limiting concentrations of each type of oligomers in a complex way.</p>

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Possibilities of Predicting the Structural Phase of a Future Crystal Based on the Determination of the Types of Nanoscale Clusters of a Saturated Solution Using the Example of KD2PO4. Part 1: Determination of the Structural Units of KD2PO4 Crystal Growth by Small-Angle X-ray Scattering

  • 期刊论文

  • 发表日期：

    2026年2月1日

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  • A. E. Sukhanov,
  • P. V. Konarev,
  • G. S. Peters,
  • E. S. Smirnova,
  • Yu. V. Pisarevsky,
  • O. A. Alekseeva,
  • M. V. Kovalchuk

摘要

Abstract

The formation of pre-nucleation clusters in KD2PO4 crystallization solutions was studied using small-angle X-ray scattering in the temperature range of 5–90°C, covering almost the entire area of existence of heavy water solutions for a large set of concentrations of the crystallized compound (335–950 mg/mL). Two types of KD2PO4 pre-nucleation clusters were found: octamers and tetramers, and the regions of existence of each of these types were established. Octamers are formed mainly in the low-temperature range of D2O solutions (4–50°C), whereas tetramers are present in the temperature range of 30–90°C; the total proportion of oligomers in the solution increases with decreasing temperature. A change in the KD2PO4 concentration maintains the above trend but changes the temperature ranges and limiting concentrations of each type of oligomers in a complex way.