Defining a quantitative metric for sulfenamide–sulfur interaction in rubber compounds

Helson Moreira da Costa, Valéria Dutra Ramos, Materials Department, Polytechnic Institute, Rio de Janeiro State University, Nova Friburgo, Materials Department, Postgraduate Program in Materials Science and Technology, Polytechnic Institute, Rio de Janeiro State University, Nova Friburgo, Engineering Department, Estácio de Sá University, Nova Friburgo

Journal of Elastomers & Plastics

Published online on May 21, 2026

Abstract

Journal of Elastomers & Plastics, Ahead of Print.
A set of one hundred sulfenamide molecules, spanning commercially used vulcanization accelerators and hypothetical analogues, was examined through molecular modeling using the PM3 semiempirical method and AMBER force fields. The goal was to identify ...