Molecular Dynamics Simulations of Sustainable Green Binders for Metal Injection Molding

Abstract

Polylactic acid (PLA) and poly(ethylene adipate) (PEA) are biodegradable, biobased polymers renowned for their versatility and environmental advantages. This study explores the potential of PLA-PEA blends as green binders in the metal injection molding (MIM) process, a crucial manufacturing technique for producing complex metal components. Substituting conventional, environmentally harmful binders with these blends offers a sustainable strategy to reduce the environmental footprint of MIM. Achieving compatibility between binder components is essential to ensure optimal molding performance in this application. To evaluate this compatibility, molecular dynamics (MD) simulations were employed to analyze the interaction and miscibility of both polymers. Simulations across various blend compositions and temperatures consistently yielded negative Flory–Huggins interaction parameters, demonstrating strong miscibility between PLA and PEA. Notably, blends with lower PEA content exhibited the most favorable compatibility. Radial distribution function analyses further confirmed these results, revealing enhanced miscibility with lower-molecular-weight PEA. This study underscores the potential of PLA-PEA blends as sustainable alternative binders in MIM, advancing the use of biobased materials in energy-efficient and eco-friendly industrial processes. By integrating PLA into MIM, this research contributes to the development of greener engineering practices and highlights the viability of sustainable material solutions for industrial applications.