# -*- coding: utf-8 -*-
"""
This module implements an expression for estimating how gas solubility in water
is affected by dissolved non-reactive salts, the expression and parameters are from Schumpe (1993).
"""
import warnings
Tref_K = 298.2 # Kelvin
p_ion_rM = { # "rM" === "per molar"
'H+': 0.0,
'Li+': 0.0691,
'Na+': 0.1171,
'K+': 0.0959,
'Rb+': 0.0845,
'Cs+': 0.0660,
'NH4+': 0.0539,
'Mg+2': 0.1765,
'Ca+2': 0.1771,
'Ba+2': 0.2021,
'Fe+2': 0.1712,
'Co+2': 0.1983,
'Ni+2': 0.2039,
'Cu+2': 0.1810,
'Mn+2': 0.1620,
'Zn+2': 0.1712,
'Cd+2': 0.2201,
'Al+3': 0.2253,
'Fe+3': 0.0996,
'Cr+3': 0.0595,
'OH-': 0.0756,
'F-': 0.1016,
'Cl-': 0.0334,
'Br-': 0.0137,
'I-': 0.0020,
'NO3-': 0.0050,
'ClO4-': 0.0502,
'IO4-': 0.1514,
'HCO3-': 0.1372,
'HSO3-': 0.0543,
'H2PO4-': 0.1025,
# '0-O-': 0.0765,
# '0-OCH2COO-': 0.0119,
'S2O3-2': 0.1109,
'HPO4-2': 0.1789,
'CO3-2': 0.1666,
'SO3-2': 0.1537,
'SO4-2': 0.1185,
'PO4-3': 0.2117
}
p_gas_rM = {
'O2': 0.0,
'CO2': -0.0183,
'N2O': -0.0110,
'C2H2': -0.0174,
'C2H4': 0.0014,
'He': -0.036,
'Ne': -0.020,
'Ar': -0.009,
'Kr': 0.003,
'Xe': 0.005,
'Rn': 0.015,
'H2': -0.024,
'N2': -0.008,
'NO': 0.004,
'C2H6': 0.011,
}
[docs]def lg_solubility_ratio(electrolytes, gas, units=None, warn=True):
""" Returns the log10 value of the solubilty ratio
Implements equation 16, p 156. from Schumpe (1993)
Parameters
----------
electrolytes : dict
Mapping substance key (one in ``p_ion_rM``) to concentration.
gas : str
Substance key for the gas (one in ``p_gas_rM``).
units : object (optional)
object with attribute: molar
warn : bool (default: True)
Emit UserWarning when 'F-' among electrolytes.
"""
if units is None:
M = 1
else:
M = units.molar
if warn and 'F-' in electrolytes:
warnings.warn("In Schumpe 1993: data for fluoride uncertain.")
return sum([(p_gas_rM[gas]/M+p_ion_rM[k]/M)*v for k, v in electrolytes.items()])
reference = dict(
doi='10.1016/0009-2509(93)80291-W',
url='http://www.sciencedirect.com/science/article/pii/000925099380291W',
year=1993,
publisher='Pergamon',
author='Schumpe, Adrian',
title='The estimation of gas solubilities in salt solutions',
volume=48,
issn='0009-2509',
abstract=(
'The effects of dissolved salts on the solubilities of gases were analysed based on '
'a comprehensive set of literature data for the temperature of 298.2 K. A new '
'empirical model was suggested which, at no increase in the number of adjustable '
'parameters, described the data with a lower standard deviation than previously '
'suggested models. The parameter values evaluated for the new model allow to '
'estimate the effects of 20 cations and 19 anions on the solubilities of 15 gases.'),
pages=(153, 158),
number=1,
journaltitle='Chemical Engineering Science',
shortjournal='Chemical Engineering Science',
)