UNASSIGNED: The effects of temperature, pH, and salinity change on @entity15863 ( @entity144 ) present in oil-sands process wastewater were modeled for 55 representative @entity144 . COSMO-RS was used to estimate @entity10333 -water (KOW) and @entity10333 -air (KOA) partition ratios and Henry's law constants (H). Validation with experimental @entity4880 data yielded log KOW and log H RMS errors of 0.45 and 0.55 respectively. Calculations of log KOW, (or log D, for @entity734 ), log KOA and log H (or log @entity2033 , for @entity734 ) were made for model @entity144 between  -20    C and 40    C, pH between 0 and 14, and salinity between 0 and 3  g @entity4202 L(-1). Temperature increase by 60   C resulted in 3-5 log unit increase in @entity8108 and a similar magnitude decrease in KOA. pH increase above the NA pKa resulted in a dramatic decrease in both log D and log @entity2033 . Salinity increase over the 0-3  g @entity4202 L(-1) range resulted in a 0.3 log unit increase on average for KOW and H values. Log KOW values of the @entity11929 and anion of the conjugate base were also estimated to examine their potential for contribution to the overall partitioning of @entity144 . @entity1372 salts and anions of @entity15863 are predicted to have on average 4 log units and 6 log units lower log KOW values, respectively, with respect to the corresponding neutral NA. Partitioning properties are profoundly influenced by the by the relative prevailing pH and the substance's pKa at the relevant temperature.

Impact of temperature, pH, and salinity changes on the physico-chemical properties of model XXXX .

@entity144 :: ('MESH:C015378', 'Chemical') :: ['NAs'] @entity4880 :: ('CHEBI:33575', 'Chemical') :: ['carboxylic acid'] @entity1372 :: ('MESH:D012964', 'Chemical') :: ['Sodium'] @entity2033 :: ('MESH:D006816', 'Disease') :: ['HD'] @entity15863 :: ('MESH:C046170', 'Chemical') :: ['naphthenic acids'] @entity10333 :: ('CHEBI:37868', 'Chemical') :: ['octanol'] @entity8108 :: ('D006859', 'Chemical') :: ['H'] @entity734 :: ('MESH:D019966', 'Disease') :: ['pH-dependence'] @entity4202 :: ('D012965', 'Chemical') :: ['NaCl'] @entity11929 :: ('CHEBI:26714', 'Chemical') :: ['sodium salt']
@entity15863 :: (MESH:C046170,Chemical) :: ['naphthenic acids']
