Jake L. Rafferty, J. Ilja Siepmann, Mark R. Schure
Abstract:The effects of stationary phase and solute chain length are probed by carrying out Monte Carlo simulations of dimethyl triacontyl (C₃₀), dimethyl octadecyl (C₁₈), dimethyl octyl (C₈), and trimethyl (C₁) silane grafted, and bare silica stationary phases in contact with a water/methanol mobile phase and by examining the retention of solutes from 1 to 14 carbons in length. Fairly small differences in structure are observed when comparing the C₃₀, C₁₈, C₈ systems and the retention mechanism of nonpolar alkane solu…
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