Reverse
osmosis (RO) is a membrane technology that separates dissolved
species from water. RO has been applied for the removal of chemical
contaminants from water for potable reuse applications. The presence
of a wide variety of influent chemical contaminants and the insufficient
rejection of low-molecular-weight neutral organics by RO calls for
the need to develop a model that predicts the rejection of various
organics. In this study, we develop a group contribution method (GCM)
to predict the mass transfer coefficients by fragmenting the structure
of low-molecular-weight neutral organics into small parts that interact
with the RO membrane. Overall, 54 organics including 26 halogenated
and oxygenated alkanes, 8 alkenes, and 20 alkyl and halobenzenes were
used to determine 39 parameters to calibrate for 6 different RO membranes,
including 4 brackish water and 2 seawater membranes. Through six membranes,
approximately 80% of calculated rejection was within an error goal
(i.e., ±5%) from the experimental observation. To extend the
GCM for a reference RO membrane, ESPA2-LD, 14 additional organics
were included from the literature to calibrate nitrogen-containing
functional groups of nitrosamine, nitriles, and amide compounds. Overall,
49 organics (72% of 68 compounds) from calibration and 7 compounds
(87.5% of 8 compounds) from prediction were within the error goal.