“…These fragments can range from large plant and animal residues to small biopolymers and monomers. Previous MD simulation studies have represented this complex material using a variety of simple SOM proxies (Greathouse et al., 2014), including the macromolecular Schulten model (Sutton & Sposito, 2006), the Vienna model (Escalona et al., 2021; Petrov et al., 2017; Y. Zhang et al., 2020), the Temple–Northeastern–Birmingham model (Iskrenova‐Tchoukova et al., 2010; Kalinichev, 2012; Loganathan et al., 2020), the University of Tennessee, Knoxville and Oak Ridge National Laboratory model of dissolved organic matter (Devarajan et al., 2020), fatty acids (Aquino et al., 2011), and a hydrophobic nanopore comprised of aliphatic chains and carboxyl groups (Tunega et al., 2019). A compilation of SOM proxies used in previous MD simulation studies is presented in Table 1.…”