Computational study demonstrates reliable Hansen solubility parameter calculation in eight industrial compounds, highlighting an accessible alternative to specialized modeling software.
The present work demonstrates the implementation in Microsoft Excel (ME) of the axis-aligned ellipsoid method to express the Hansen solubility region using this geometric approximation. The results of this application have been validated with eight compounds reported in the literature for which ellipsoidal models are used, and by comparing them with results reported by the classical method for determining HSP using the HSPiP software. In some cases, better results than those reported in the literature are observed, and in others, the differences are negligible. The compounds used in the validation were polystyrene (PES), cellulose diacetate (CDA), polymethy lmethacrylate (PMMA), synthetic paraffinic hydrocarbon liquid (PAO), hydrotreated naphthenic oil (N-oil), naphthenic distillate with high aromatic content (D-oil), bitumen, and lignin. Additionally, the limitations of ME for the 3D representation of the evaluated solvents, along with the Hansen region, are addressed through the use of the BESH-Stat NG add-in, which has been upgraded for this purpose.
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Ríos et al. (2026) studied this question.
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