MCAS w/generic crystallizer

docs/technical_reference/property_models/mc_aq_sol.rst

@@ -70,7 +70,7 @@ Parameters
 .. csv-table::
  :header: "Description", "Symbol", "Parameter", "Index", "Units"
 
- "Component molecular weight :sup:`1`", ":math:`m_N`", "mw_comp", "[j]", ":math:`\text{kg mol}^{-1}`"
+ "Component molecular weight :sup:`1`", ":math:`MW`", "mw_comp", "[j]", ":math:`\text{kg mol}^{-1}`"
  "Stokes radius of solute", ":math:`r_h`", "radius_stokes_comp", "[j]", ":math:`\text{m}`"
  "Molar volume of solute", ":math:`V`", "molar_volume_phase_comp", "[p, j]", ":math:`\text{m}^3 \text{ mol}^{-1}`"
  "Dynamic viscosity", ":math:`\mu`", "visc_d_phase", "[p]", ":math:`\text{Pa s}`"
@@ -112,7 +112,11 @@ Properties
    "Debye-Huckel constant A", ":math:`A`", "deby_huckel_constant", "none", ":math:`\text{dimensionless}`"
    "Ionic Strength", ":math:`I`", "ionic_strength_molal", "none", ":math:`\text{mol kg}^{-1}`"
    "Mass diffusivity of solute", ":math:`D`", "diffus_phase_comp", "[p, j]", ":math:`\text{m}^2 \text{ s}^{-1}`"
-
+   "Specific enthalpy", ":math:`\widehat{H}`", "enth_mass_phase", "[p]", ":math:`\text{J/kg}`"
+   "Enthalpy flow", ":math:`H`", "enth_flow", "None", ":math:`\text{J/s}`"
+   "Saturation pressure", ":math:`P_v`", "pressure_sat", "None", ":math:`\text{Pa}`"
+   "Total hardness as CaCO3",":math:`TH`","total_hardness", "None", ":math:`\text{mg/L}`"
+   "Total dissolved solids",":math:`TDS`","total_dissolved_solids", "None", ":math:`\text{mg/L}`"
 
 
 Relationships
@@ -137,7 +141,13 @@ Relationships
    "Phase electrical conductivity", ":math:`\lambda=\Lambda\sum_{j\in cation}{\left|z_j\right|n_j}`"
    "Debye-Huckel constant", ":math:`A=\frac{\left(2 \pi N_A\right)^{0.5}}{log(10)} \left(\frac{\textbf{e}^2}{4 \pi \epsilon \epsilon_0 kT}\right)^{\frac{3}{2}}`"
    "Ionic strength", ":math:`I=0.5\sum_{j\in ion}{z_j^2b_j}`"
-   "Component mass diffusivity :sup:`5`", ":math:`D\text{ specified in data argument}` or :math:`D \text{ }[\text{m}^2 \text{ s}^{-1}]=\frac{\chi_{1}}{(\mu \text{ }[\text{cP}])^{\chi_{2}}(V \text{ }[\text{cm}^3 \text{ mol}^{-1}])^{\chi_{3}}}`"
+   "Component mass diffusivity :sup:`5`", ":math:`D\text{ specified in data argument}` or :math:`D \text{ }=\frac{\chi_{1}}{(\mu \text{ }[\text{cP}])^{\chi_{2}}(V \text{ }[\text{cm}^3 \text{ mol}^{-1}])^{\chi_{3}}}`"
+   "Specific enthalpy", "Equations 25-27 in Nayar et al. (2016)"
+   "Enthalpy flow", ":math:`H = \sum_{j} M_j \cdotp \widehat{H}`"
+   "Saturation pressure", "Equations 5 and 6 in Nayar et al. (2016)"
+   "Total hardness as CaCO3",":math:`TH = \sum_{j \in \text{polyvalent cation set}} {n_j z_j} \frac{MW_{CaCO3}}{z_{CaCO3}}`"
+   "Total dissolved solids",":math:`TDS = \sum_{j \in \text{ion set}} m_j`"
+
 
 .. note::
 
@@ -166,7 +176,7 @@ Physical/chemical constants
 
 Scaling
 -------
-A comprehensive scaling factor calculation method is coded in this property package.  Among the state variables (:math:`N, T, \text{and }  p`), default scaling factors for :math:`T` and :math:`p` were set and do not need users' input, while, for :math:`N`, usually require a user input via an interface. The coding interface to set defalut scaling factor for :math:`N` and call the scaling calculation for other variables is the following. 
+A comprehensive scaling factor calculation method is coded in this property package.  Among the state variables (:math:`N, T, \text{and }  p`), default scaling factors for :math:`T` and :math:`p` were set and do not need users' input, while, for :math:`N`, usually require a user input via an interface. The coding interface to set default scaling factor for :math:`N` and call the scaling calculation for other variables is the following. 
 
 .. code-block::
 

docs/technical_reference/property_models/seawater.rst

@@ -51,18 +51,14 @@ Properties
    "Latent heat of vaporization", ":math:`h_{vap}`", "dh_vap_mass", "None", ":math:`\text{J/kg}`"
    "Diffusivity", ":math:`D`", "diffus_phase_comp", "[p]", ":math:`\text{m}^2\text{/s}`"
    "Boiling point elevation", ":math:`BPE`", "boiling_point_elevation_phase", "[p]", ":math:`\text{K}`"
-
-
-**The properties make use of the average molecular weight of sea salt, ≈ 31.40 g/mol, reported in the Reference-Composition Salinity Scale (Millero et al., 2008)  to convert to moles.**
-
-.. csv-table::
-   :header: "Description", "Symbol", "Variable", "Index", "Units"
-
    "Component mole flowrate", ":math:`N_j`", "flow_mol_phase_comp", "[p, j]", ":math:`\text{mole/s}`"
    "Component mole fraction", ":math:`y_j`", "mole_frac_phase_comp", "[p, j]", ":math:`\text{dimensionless}`" 
    "Molality", ":math:`Cm`", "molality_phase_comp", "['TDS']", ":math:`\text{mole/kg}`"
    "Osmotic pressure", ":math:`\pi`", "pressure_osm_phase", "None", ":math:`\text{Pa}`"
 
+**The properties make use of the average molecular weight of sea salt, ≈ 31.40 g/mol, reported in the Reference-Composition Salinity Scale (Millero et al., 2008)  to convert to moles.**
+
+
 Relationships
 -------------
 .. csv-table::
@@ -87,8 +83,6 @@ Relationships
    "Diffusivity", "Equation 6 in Bartholomew et al. (2019)"
    "Boiling point elevation", "Equation 36 in Sharqawy et al. (2010)"
 
-
-
 Note: Osmotic pressure calculation (based on equation 48 in Nayar et al. (2016)) uses the density of water as a function of temperature (:math:`\rho_w`) and the ideal gas constant (:math:`R\text{, 8.314 J/mol}\cdotp\text{K}`), in addition to previously defined variables.
 
 Scaling

watertap/costing/unit_models/surrogate_crystallizer.py

@@ -0,0 +1,189 @@
+#################################################################################
+# WaterTAP Copyright (c) 2020-2024, The Regents of the University of California,
+# through Lawrence Berkeley National Laboratory, Oak Ridge National Laboratory,
+# National Renewable Energy Laboratory, and National Energy Technology
+# Laboratory (subject to receipt of any required approvals from the U.S. Dept.
+# of Energy). All rights reserved.
+#
+# Please see the files COPYRIGHT.md and LICENSE.md for full copyright and license
+# information, respectively. These files are also available online at the URL
+# "https://github.com/watertap-org/watertap/"
+#################################################################################
+
+import pyomo.environ as pyo
+from watertap.costing.util import (
+    register_costing_parameter_block,
+    make_capital_cost_var,
+)
+
+
+def build_surrogate_crystallizer_cost_param_block(blk):
+
+    blk.steam_pressure = pyo.Var(
+        initialize=3,
+        units=pyo.units.bar,
+        doc="Steam pressure (gauge) for crystallizer heating: 3 bar default based on Dutta example",
+    )
+
+    blk.efficiency_pump = pyo.Var(
+        initialize=0.7,
+        units=pyo.units.dimensionless,
+        doc="Crystallizer pump efficiency - assumed",
+    )
+
+    blk.pump_head_height = pyo.Var(
+        initialize=1,
+        units=pyo.units.m,
+        doc="Crystallizer pump head height -  assumed, unvalidated",
+    )
+
+    # Crystallizer operating cost information from literature
+    blk.fob_unit_cost = pyo.Var(
+        initialize=675000,
+        doc="Forced circulation crystallizer reference free-on-board cost (Woods, 2007)",
+        units=pyo.units.USD_2007,
+    )
+
+    blk.ref_capacity = pyo.Var(
+        initialize=1,
+        doc="Forced circulation crystallizer reference crystal capacity (Woods, 2007)",
+        units=pyo.units.kg / pyo.units.s,
+    )
+
+    blk.ref_exponent = pyo.Var(
+        initialize=0.53,
+        doc="Forced circulation crystallizer cost exponent factor (Woods, 2007)",
+        units=pyo.units.dimensionless,
+    )
+
+    blk.iec_percent = pyo.Var(
+        initialize=1.43,
+        doc="Forced circulation crystallizer installed equipment cost (Diab and Gerogiorgis, 2017)",
+        units=pyo.units.dimensionless,
+    )
+
+    blk.steam_cost = pyo.Var(
+        initialize=0.004,
+        units=pyo.units.USD_2018 / (pyo.units.meter**3),
+        doc="Steam cost, Panagopoulos (2019)",
+    )
+
+    costing = blk.parent_block()
+    costing.register_flow_type("steam", blk.steam_cost)
+
+
+def cost_surrogate_crystallizer(blk):
+    """
+    Function for costing the surrogate crystallizer by the mass flow of produced crystals.
+    The operating cost model assumes that heat is supplied via condensation of saturated steam (see Dutta et al.)
+    """
+    cost_crystallizer_by_crystal_mass(blk)
+
+
+def _cost_crystallizer_flows(blk):
+    blk.costing_package.cost_flow(
+        pyo.units.convert(
+            (blk.unit_model.heat_required / _compute_steam_properties(blk)),
+            to_units=pyo.units.m**3 / pyo.units.s,
+        ),
+        "steam",
+    )
+
+
+@register_costing_parameter_block(
+    build_rule=build_surrogate_crystallizer_cost_param_block,
+    parameter_block_name="surrogate_crystallizer",
+)
+def cost_crystallizer_by_crystal_mass(blk):
+    """
+    Mass-based capital cost for FC crystallizer
+    """
+    make_capital_cost_var(blk)
+    blk.costing_package.add_cost_factor(blk, "TIC")
+    blk.cost_factor = 1  # blk.costing_package.add_cost_factor(blk, "TIC")
+    blk.capital_cost_constraint = pyo.Constraint(
+        expr=blk.capital_cost
+        == blk.cost_factor
+        * pyo.units.convert(
+            (
+                blk.costing_package.surrogate_crystallizer.iec_percent
+                * blk.costing_package.surrogate_crystallizer.fob_unit_cost
+                * (
+                    blk.unit_model.flow_mass_sol_total
+                    / blk.costing_package.surrogate_crystallizer.ref_capacity
+                )
+                ** blk.costing_package.surrogate_crystallizer.ref_exponent
+            ),
+            to_units=blk.costing_package.base_currency,
+        )
+    )
+    _cost_crystallizer_flows(blk)
+
+
+def _compute_steam_properties(blk):
+    """
+    Function for computing saturated steam properties for thermal heating estimation.
+
+    Args:
+        pressure_sat:   Steam gauge pressure in bar
+
+    Out:
+        Steam thermal capacity (latent heat of condensation * density) in kJ/m3
+    """
+    pressure_sat = blk.costing_package.surrogate_crystallizer.steam_pressure
+    # 1. Compute saturation temperature of steam: computed from El-Dessouky expression
+    tsat_constants = [
+        42.6776 * pyo.units.K,
+        -3892.7 * pyo.units.K,
+        1000 * pyo.units.kPa,
+        -9.48654 * pyo.units.dimensionless,
+    ]
+    psat = (
+        pyo.units.convert(pressure_sat, to_units=pyo.units.kPa)
+        + 101.325 * pyo.units.kPa
+    )
+    temperature_sat = tsat_constants[0] + tsat_constants[1] / (
+        pyo.log(psat / tsat_constants[2]) + tsat_constants[3]
+    )
+
+    # 2. Compute latent heat of condensation/vaporization: computed from Sharqawy expression
+    t = temperature_sat - 273.15 * pyo.units.K
+    enth_mass_units = pyo.units.J / pyo.units.kg
+    t_inv_units = pyo.units.K**-1
+    dh_constants = [
+        2.501e6 * enth_mass_units,
+        -2.369e3 * enth_mass_units * t_inv_units**1,
+        2.678e-1 * enth_mass_units * t_inv_units**2,
+        -8.103e-3 * enth_mass_units * t_inv_units**3,
+        -2.079e-5 * enth_mass_units * t_inv_units**4,
+    ]
+    dh_vap = (
+        dh_constants[0]
+        + dh_constants[1] * t
+        + dh_constants[2] * t**2
+        + dh_constants[3] * t**3
+        + dh_constants[4] * t**4
+    )
+    dh_vap = pyo.units.convert(dh_vap, to_units=pyo.units.kJ / pyo.units.kg)
+
+    # 3. Compute specific volume: computed from Affandi expression (Eq 5)
+    t_critical = 647.096 * pyo.units.K
+    t_red = temperature_sat / t_critical  # Reduced temperature
+    sp_vol_constants = [
+        -7.75883 * pyo.units.dimensionless,
+        3.23753 * pyo.units.dimensionless,
+        2.05755 * pyo.units.dimensionless,
+        -0.06052 * pyo.units.dimensionless,
+        0.00529 * pyo.units.dimensionless,
+    ]
+    log_sp_vol = (
+        sp_vol_constants[0]
+        + sp_vol_constants[1] * (pyo.log(1 / t_red)) ** 0.4
+        + sp_vol_constants[2] / (t_red**2)
+        + sp_vol_constants[3] / (t_red**4)
+        + sp_vol_constants[4] / (t_red**5)
+    )
+    sp_vol = pyo.exp(log_sp_vol) * pyo.units.m**3 / pyo.units.kg
+
+    # 4. Return specific energy: density * latent heat
+    return dh_vap / sp_vol