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seawater_ion_generic.rst

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Seawater Ion Generic Property Package

This package implements property relationships for artificial seawater as provided in Islam et al. (2021).

This artificial seawater property package:
  • supports only 'H2O', 'Na+', 'Ca_2+', 'Mg_2+', 'Cl_-', 'SO4_2-'
  • supports only liquid phase
  • is formulated on a molar basis
  • does not support dynamics

This package uses the eNRTL equation of state and has been used to predict mineral scaling in full treatment where reverse osmosis is the primary desalination technology. Additionally, this property package is formulated as an extension of IDAES's modular property framework (GenericParameterBlock). In other words, this property package is a configuration file that gets passed into IDAES's generic/modular property framework.

Sets

Description Symbol Indices
Components j ['H2O', 'Na+', 'Ca_2+', 'Mg_2+', 'Cl_-', 'SO4_2-']
Phases p ['Liq']

State variables

Description Symbol Variable Index Units
Component molar flowrate Nj flow_mol_phase_comp [p, j] mole/s
Temperature T temperature None K
Pressure P pressure None Pa

Properties

Description Symbol Variable Index Units
Component mole fraction yj mole_frac_phase_comp [p, j] dimensionless
Component mole flowrate Nj flow_mol_phase_comp [p, j] mole/s
Interaction parameter τ Liq_tau [j_1, j_2, j_3] dimensionless
Component molar volume Vj vol_mol_liq_comp [j] m3/mole

Relationships

Description Equation
Component mole flowrate $N_j = \frac{M_j}{MW_j}$
Component mole fraction $y_j = \frac{N_j}{\sum_{j} N_j}$

Scaling

This artificial seawater property package includes support for scaling, such as default or user-supplied scaling factors for all variables.

The default scaling factors are as follows:

  • 1e1 for 'Na+' mole flowrate
  • 1e3 for 'Ca_2+' mole flowrate
  • 1e2 for 'Mg_2+' mole flowrate
  • 1e2 for 'SO4_2-' mole flowrate
  • 1e1 for 'Cl_-' mole flowrate
  • 1e-1 for 'H2O' mole flowrate
  • 1e2 for 'Na+' mole fraction
  • 1e4 for 'Ca_2+' mole fraction
  • 1e3 for 'Mg_2+' mole fraction
  • 1e3 for 'SO4_2-' mole fraction
  • 1e2 for 'Cl_-' mole fraction
  • 1 for 'H2O' mole fraction
  • 1e1 for 'NaCl' apparent mole flowrate
  • 1e2 for 'Na2SO4' apparent mole flowrate
  • 1e2 for 'CaCl2' apparent mole flowrate
  • 1e3 for 'CaSO4' apparent mole flowrate
  • 1e2 for 'MgCl2' apparent mole flowrate
  • 1e3 for 'MgSO4' apparent mole flowrate
  • 1e-1 for 'H2O' apparent mole flowrate
  • 1e3 for 'NaCl' apparent mole fraction
  • 1e4 for 'Na2SO4' apparent mole fraction
  • 1e4 for 'CaCl2' apparent mole fraction
  • 1e5 for 'CaSO4' apparent mole fraction
  • 1e4 for 'MgCl2' apparent mole fraction
  • 1e5 for 'MgSO4' apparent mole fraction
  • 1 for 'H2O' apparent mole fraction

Scaling factors for other variables can be calculated based on their relationships with the user-supplied or default scaling factors.

Reference

M.R.Islam, I.Hsieh, B.Lin, A.K.Thakur, C.Chen, M.Malmali, Molecular thermodynamics for scaling prediction: Case of membrane distillation, Separation and Purification Technology, 2021,Vol. 276. https://www.sciencedirect.com/science/article/abs/pii/S1383586621009412