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. Author manuscript; available in PMC: 2019 Jun 21.
Published in final edited form as: J Phys Chem B. 2018 Jun 12;122(24):6403–6416. doi: 10.1021/acs.jpcb.8b03037

Table 3.

System Information for Oil–Water Interface Simulationsa

no. of Rha–C10-C10 (N) no. of decane molecules (nonionic) no. of decane molecules (anionic) no. of Na+ ions (anionic) initial box size (Å × Å × Å) SAPM (Å2) simulation time (ns)
50 445 445 50 50 × 50 × 290 50.0 35
50 485 485 50 52 × 52 × 290 54.1 35
50 525 525 50 54 × 54 × 290 58.3 35
50 565 565 50 56 × 56 × 290 62.7 35
50 605 605 50 58 × 58 × 290 67.3 35
50 645 645 50 60 × 60 × 290 72.0 35
50 690 690 50 62 × 62 × 290 76.9 35
50 735 735 50 64 × 64 × 290 81.9 35
50 780 780 50 66 × 66 × 290 87.1 35
a

The number of surfactants and oils provided in the table corresponds to a single monolayer.