We choose 350 K as the target temperature since this is representative of the conditions inside engines and is below the boiling point of both solvents. Production runs are carried out in the canonical NVT ensemble at 350 K for at least 100 ns. A subset of simulations was also performed at 300 K, 325 K, and 370 K to check for temperature effects on adsorption. The temperature and pressure are controlled with a Nosé-Hoover 82,83 thermostat and barostat with a time relaxation constant of 0.1 ps and 1.0 ps, respectively. The ABF routine is implemented using the colvars plugin for LAMMPS; an example of a configuration file, needed for enabling enhanced sampling, is provided in the Supporting Information.