Polymer Product Design: Considering Detailed Polymer Attributes and Production Guidelines

Abstract

Because polymer properties are influenced by numerous complex structural factors, repeat unit structures provided by previous polymer designs are not sufficient for the production guidelines. In addition, neither the phase state nor the working temperature is considered when determining product attributes in previous studies. Considering these deficiencies, an improved polymer product design framework is proposed. Target polymer repeat unit structures with an average molecular weight range and difficulty of synthesis are provided under target properties, working temperatures, and phase states. First, the molecular weight and temperature-dependent properties are classified; then, limiting properties determined using the group contribution method are introduced to describe molecular weightproperty relationship. Finally, van der Waals volume is introduced to predict molar volume at a certain working temperature so that temperature-dependent properties can be determined. Advantages of the proposed framework are discussed and compared with the traditional polymer design, and a practical binder design example for coating is presented to demonstrate the applicability.

Integrated Experimental and Modeling Approach to Evaluate Surface Crystallization on Polymer Coatings

“…Some computer-aided methods have been developed to rapidly screen feasible coating ingredients according to coating performance requirements. 1,10,11 Moreover, they have also been utilized to search for the optimal proportion of ingredients under a specific goal, such as low toxicity. 12 However, high RTSC has not yet been considered as a design and optimization objective for the computer-aided methods, since the RTSC as a function of coating properties is still ambiguous.…”

“…Polymer coatings, generally made up of polymeric binders, pigments, fillers, and other additives, have been widely applied in the fields of construction, corrosion preservation, etc. They are utilized on the surface of substrate materials for protection and decoration .…”

“…The high time expense of RTSC evaluation experiments may also lead to the low efficiency of trial-and-error-based coating design methods and makes it practically impossible to optimize coating formulations experimentally for RTSC. Some computer-aided methods have been developed to rapidly screen feasible coating ingredients according to coating performance requirements. ,, Moreover, they have also been utilized to search for the optimal proportion of ingredients under a specific goal, such as low toxicity . However, high RTSC has not yet been considered as a design and optimization objective for the computer-aided methods, since the RTSC as a function of coating properties is still ambiguous.…”