The Waterborne Symposium 2025

Co-Authors:
Alann O. P. Bragatto, Suzy S. Alves, Bruno S. Dario

Abstract
"The selection of wetting and dispersing agents in pigment concentrate formulations is a non-trivial task. The vast array of available products and technologies, coupled with a frequent lack of adequate technical information, makes the formulator’s job extensive, intricate, time-consuming, and inefficient due the lack of rationalization in the use of these additives. These factors created a barrier to innovative and more sustainable products since the work required to screen new additives became an art instead of a science.
The present study aims to demonstrate how the use, development, and implementation of physicochemical methodologies, combined with digital tools and high throughput screening, can generate highly useful data for formulators in the additive selection and formula optimization process, making it faster, smarter, and more efficient.
The first and most comprehensive part of the work illustrates how physicochemical techniques and parameters applied to surfactants can be utilized in the selection of wetting and dispersing agents. It is demonstrated the correlation between static surface tension, dynamic surface tension, wetting time, contact angle, and free adsorption energy with performance and process properties in pigment concentrate formulations, such as deflocculation curves, process time, tinting strength, rub-out, and stability.
The second part of the work is focused on the development of a method to create adsorption isotherms and on their use. This data is extremely valuable as it allows for comparisons between additives from different technologies even when the chemical structure is unknown. The study demonstrated how the curves and parameters obtained from this technique can help formulators understand which additive has higher affinity for a given pigment, aiding in the selection of dispersing agents with higher potential to provide good performance and longer stability. Additionally, this methodology helped understanding the versatility of the additive, clarifying whether the same molecule could be used with different types of pigments. The results from the adsorption isotherms were correlated with the stability, tinting strength, and rub-out of the pigment concentrates.
The final part of the work aims to apply Hansen solubility parameters (HSP) to evaluate the compatibility of wetting or dispersing agents with pigments. The current focus is on using high throughput screening to determine the HSP values of a variety of wetting and dispersing agents – such as surfactants and polymerics with or without charges. After the parameters of the additives and the pigments of interest are obtained, formulators could use these data to simulate the interaction between the additive and the pigment, enabling the selection of the most promising candidates for experimental evaluation. The last goal of the work is to provide initial data on the HSP parameters determination and compatibility simulations to then correlate with experimental performance data of pigment concentrates, such as tinting strength, rub-out, and stability. Once the correlation is proven, this methodology will allow a quick determination of parameters without requiring knowledge of product’s composition and will aid the development of better coating formulation."