Adaptation of Hansen solubility parameter in evaluating transparency of composite materials

Abstract

A B S T R A C TIn the preparation of polymer-based functional materials, it is often difficult to express the desired function using a single substance. Thus, multiple materials are often combined to achieve a desired function using methods such as the addition of a filler or lamination. However, when materials are mixed using a filler, the transparency of the polymer decreases. Therefore, a prediction indicator for transparency is needed. In this study, we focused on using the Hansen solubility parameter (HSP) as a predictor of transparency. The value of δ d , which is the dispersion force term of the solubility parameter, is considered to be related to the refractive index of the solvent. Silica particles were selected as model particles, and the HSP value was determined. We examined the possibility of evaluating the transparency in a solvent containing silica particles based on the HSP value, and our results indicated that a smaller difference in δ d between the particles and solvent corresponded with a higher transparency. The HSP value could be used as an index for evaluation of the dispersibility and solubility of the polymer. By using HSP theory in the material design of composite materials, it is thus considered possible to use the same index to simultaneously evaluate the dispersibility evaluation and predict the transparency of the filler.

Solubility Prediction from Molecular Properties and Analytical Data Using an In-phase Deep Neural Network (Ip-DNN)

“…In particular, the predicted dD, which indicates the dispersion energy, showed a relatively high accuracy. It was assumed that this was due to the use of the experimental refractive index value as training data, which is closely related to the weight per unit volume, density, and dD . Actually, the refractive index is the most important factor in the case of the dD prediction (Figure , Table S6a).…”

“…It was assumed that this was due to the use of the experimental refractive index value as training data, which is closely related to the weight per unit volume, density, and dD. 51 Actually, the refractive index is the most important factor in the case of the dD prediction (Figure 3, Table S6a). The dispersion energy dD is a weak intermolecular force that acts even for non-polar molecules, unlike the dipole moment dP.…”

A Quantitative Approach to Characterize the Surface Modification on Nanoparticles Based on Localized Dielectric Environments

“…As characterization of NP dispersibility, Hansen solubility parameters (HSP) or Hansen dispersibility parameters (HDP) have been adopted to obtain a deeper insight into the surface properties of NPs. ,,, Fujiwara et al reported the surface modification of copper NPs using silane coupling agents and estimated the alteration of their surface properties based on HSP . Although the correlation between the degree of surface modification and surface properties was unclear, the HSP value of surface-modified NPs became closer to that of the modifier.…”

“…Although HSP has nonetheless proved a powerful characterization tool for predicting NP dispersibility, the HSP characterization is a time-consuming process because it generally requires ca. 20 kinds of solvents for the dispersibility test. ,, As another approach to obtain the local surface properties of materials, solvatochromic dyes are useful. Pyrene derivatives, betaine derivatives, and naphthalene derivatives have been utilized to investigate the micropolarity in blend polymer, silica NPs, and lipid self-assemblies, − respectively.…”

Effects of Process and Formulation Parameters on Submicron Polymeric Particles Produced by a Rapid Emulsion-Diffusion Method

“…More importantly, a linear correlation to predict the particle size in the final aqueous phase from the Hansen solubility parameters of the organic solvent blends was investigated. These studies were performed since the particle dispersibility [22,23], transmittance [24] or particle sizes have only been studied in organic solvents [25] from the Hansen solubility parameters.…”