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Updated: Jan 10, 2026

Phase Diagram Characterization Using Magnetic Beads as Liquid Carriers
Published on: September 4, 2015
A dataset for aqueous surfactant phase behavior as a function of temperature and composition
Felix Rummel1, Patrick B Warren2, David J Bray2
1The Hartree Centre, STFC Daresbury Laboratory, Warrington, WA4 4AD, United Kingdom. felix.rummel@stfc.ac.uk.
Abstract:
Presented here is a dataset (PhDat) discretizing the aqueous phase behavior of 143 surfactants as a function of temperature and composition. Across the complete dataset, we classify the discretized state points into 118 distinct possible phase states, comprising both single- and two-phase regions, taking a probabilistic approach to describe phase transitions and narrow biphasic gaps. We also outline the workflow adopted to obtain the digitized phase diagrams. We anticipate this dataset will be useful for machine learning or similar applications, in the practically important field of surfactant formulation. The dataset has been designed to be extensible such that it can accommodate a wider variety of surfactant mixtures or non-surfactant molecule phase diagrams.
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