Performance of polyurea formulations against impact loads: A molecular dynamics and mechanical simulation approach

• Published in: Journal of applied polymer science Vol. 138; no. 17
• Main Authors: Jandaghian, Mohammad Hossein, Kazerooni, Hanif
• Format: Journal Article
• Language: English
• Published: Hoboken, USA John Wiley & Sons, Inc 05.05.2021; Wiley Subscription Services, Inc
• Subjects: Diamines; Diisocyanates; Dynamic loads; Impact loads; Materials science; Mechanical properties; Molecular dynamics; morphology; Polymers; Polyurea coatings; Polyureas; Precursors; Projectiles; Protective coatings; Synthesis; theory and modeling
• ISSN: 0021-8995; 1097-4628
• DOI: 10.1002/app.50309

Today, polyurea is known as one of the most famous and widely used protective coatings in the world. The unique properties of polyurea are at such a high level that it is possible to use this coating in a wide range of applications. Although polyurea is generally made from the reaction between two types of precursors (diisocyanate and diamine), it is challenging to choose the right precursor pair for producing a coating with a specific application due to the great variety of introduced diisocyanate and diamine precursors. On the other hand, the experimental synthesis of the formulations and the study of their performance is also very costly and time‐consuming. In this study and by examining a series of commercially available precursors for polyurea coatings synthesis, well‐known materials have been introduced and classified. Then, a representative of each formulation family is simulated by a molecular dynamics and mechanical approach using a three‐step method on atomic, meso, and continuum scales, and the mechanical properties of the formulations are extracted. Then, by examining the response of each formulation to the three types of dynamic load (earthquake, projectile impact, and air blast), the protective capabilities of these formulations have been compared, and the optimal formulation for each application has been introduced. In this paper, using molecular dynamics and mechanical simulations at three molecular, semi‐continuous and continuous scales, the impact resistance properties of several types of commercially available polyurea coatings are compared.