Merge branch 'IDAES:main' into main

.github/workflows/typos.toml

@@ -30,5 +30,11 @@ suh = "suh"
 ther = "ther"
 # KNO3
 KNO = "KNO"
+# Equil == equilibrium
+equil = "equil"
+# Ignore astroid package
+astroid = "astroid"
+# delt == delta
+delt = "delt"
 # TEMPORARY - Remove after example update
-upadate = "upadate"
+upadate = "upadate"

README.md

@@ -50,23 +50,21 @@ You can check the version installed with the command:
 idaes --version
 ```
 
-Now install the examples and the pre-build extensions (binary solvers):
+Now install the pre-built extensions (binary solvers):
 
 ```bash
-idaes get-examples
 idaes get-extensions
 ```
 
-This will install the examples into an `examples` subdirectory which can be opened using a [Jypter](https://jupyter.org) Notebook:
+The IDAES examples can be installed by running:
 
 ```bash
-jupyter notebook examples/notebook_index.ipynb
+pip install idaes-examples
 ```
-From there you can explore the examples and tutorials.
 
-For more information on how to use Jupyter Lab, use the built-in *Help* menu and the extensive documentation on the [Jupyter website](https://jupyter.org).
+For more information, refer to the [IDAES/examples](https://github.com/IDAES/examples) repository, as well as the online static version of the examples available at <https://idaes-examples.readthedocs.org>.
 
-Finally, refer to the [complete idaes-pse documentation](https://idaes-pse.readthedocs.io/en/stable) for detailed [installation instructions](https://idaes-pse.readthedocs.io/en/stable/tutorials/getting_started/index.html), examples, guides, and reference.
+Finally, refer to the [complete idaes-pse documentation](https://idaes-pse.readthedocs.io/en/latest) for detailed [installation instructions](https://idaes-pse.readthedocs.io/en/latest/tutorials/getting_started/index.html), examples, guides, and reference.
 
 ## System requirements
 

docs/explanations/components/property_package/general/bubble_dew.rst

@@ -7,7 +7,7 @@ Bubble and Dew Point Methods
 Ideal Assumptions (``IdealBubbleDew``)
 --------------------------------------
 
-In the case where ideal behavior can be assumed, i.e. ideal gas assumption and Raoult's Law holds, the bubble and dew points can be calculated directly from the saturation pressure using the following equations.
+In the case where ideal behavior can be assumed, i.e., ideal gas assumption and Raoult's Law holds, the bubble and dew points can be calculated directly from the saturation pressure using the following equations. Note that these equations assume that only two phases are present, and thus this approach is not easily extended to cases where additional phases are present (a ConfigurationError will be raised if this is detected). For systems with more than two phases, the LogBubbleDew approach should be used instead.
 
 Ideal Bubble Pressure
 ^^^^^^^^^^^^^^^^^^^^^

docs/explanations/components/property_package/general_reactions/equil_form.rst

@@ -7,7 +7,7 @@ Equilibrium Reaction Forms
 Power Law (power_law_equil)
 ---------------------------
 
-The method uses a power law form using the concentration form provided  to calculate the reaction rate.
+The method uses a power law form using the concentration form provided to calculate the reaction equilibrium.
 
 .. math:: k_{eq} = \prod_{(p, j)}{x_{(p,j)}^{O_{(p,j)}}}
 
@@ -18,14 +18,14 @@ The method uses a power law form using the concentration form provided  to calcu
 
    ":math:`O`", "reaction_order", "phase, component", "Reaction order"
 
-Providing a `reaction_order` dict is optional. If one is not provided, it will be assumed that this is an elementary reaction and that the reaction order is equal to the stoichiometric coefficient for all component in non-solid phases (the contribution of solid phases is assumed to be constant and included in the equilibrium constant, thus an order of zero is assumed).
+Providing a `reaction_order` dict is optional. If one is not provided, it will be assumed that this is an elementary reaction and that the reaction order is equal to the stoichiometric coefficient for all components in non-solid phases (the contribution of solid phases is assumed to be constant and included in the equilibrium constant, thus an order of zero is assumed).
 
 Log Power Law (log_power_law_equil)
 -----------------------------------
 
-The method uses a log form of a power law using the concentration form provided  to calculate the reaction rate.
+The method uses a log form of a power law using the concentration form provided to calculate the reaction equilibrium.
 
-.. math:: log(k_{eq}) = \sum_{(p, j)}{O_{(p,j)}*log(x_{(p,j))}
+.. math:: log(k_{eq}) = \sum_{(p, j)}{O_{(p,j)}*log(x_{(p,j)})}
 
 **Parameters**
 
@@ -34,4 +34,77 @@ The method uses a log form of a power law using the concentration form provided
 
    ":math:`O`", "reaction_order", "phase, component", "Reaction order"
 
+Providing a `reaction_order` dict is optional. If one is not provided, it will be assumed that this is an elementary reaction and that the reaction order is equal to the stoichiometric coefficient for all components in non-solid phases (the contribution of solid phases is assumed to be constant and included in the equilibrium constant, thus an order of zero is assumed).
+
+Solubility Product (solubility_product)
+---------------------------------------
+
+The method uses a complementarity formulation for solid precipitation using solubility product form.
+
+For precipitation at equilibrium, 
+
+.. math:: Q = k_{sp} - \prod_{(liq, j)}{x_{(liq,j)}^{O_{(liq,j)}}}
+
+* :math:`Q = 0` only holds if solids (S) are present in the system, :math:`S \geq 0`.
+* :math:`Q \geq 0` if the system is subsaturated and no solids (S) are present, :math:`S = 0`.
+
+:math:`S` represents the solid presentation and is normalized and scaled as:
+
+.. math:: S = C*\frac{s}{s+N}
+
+where :math:`s` is assumed to be the sum of the flowrates of any solids formed in the reaction. 
+
+Only one of :math:`Q` and :math:`S` can be greater than zero at any time, which can be written in the form of a complementarity constraint as:
+
+.. math:: Q - max(0, Q-S) == 0
+
+The :math:`\max()` function is provided as an IDAES utility which provides a smooth max expression with mutable smoothing parameter, :math:`\epsilon`.
+
+**Parameters**
+
+.. csv-table::
+   :header: "Symbol", "Parameter Name", "Indices", "Default", "Description"
+
+   ":math:`O`", "reaction_order", "liq, component", "\-", "Reaction order"    
+    ":math:`C`", "s_scale", "\-", "10", "Scaling factor for the solid term"    
+    ":math:`N`", "s_norm", "\-", "1e-4 (`k_eq_ref` if provided)", "Normalization parameter for the solid term" 
+    ":math:`\epsilon`", "eps", "\-", "1e-4", "Smoothing factor"
+
+Providing a `reaction_order` dict is optional. If one is not provided, it will be assumed that this is an elementary reaction and that the reaction order is equal to the stoichiometric coefficient for all components in non-solid phases (the contribution of solid phases is assumed to be constant and included in the equilibrium constant, thus an order of zero is assumed).
+
+Log Solubility Product (log_solubility_product)
+-----------------------------------------------
+
+The method uses a complementarity formulation for solid precipitation using a log form of solubility product.
+
+For precipitation at equilibrium, 
+
+.. math:: Q = log(k_{sp}) - \sum_{(liq, j)}{O_{(liq,j)}*log(x_{(liq,j)})}
+
+* :math:`Q = 0` only holds if solids (S) are present in the system, :math:`S \geq 0`.
+* :math:`Q \geq 0` if the system is subsaturated and no solids (S) are present, :math:`S = 0`.
+
+:math:`S` represents the solid presentation and is normalized and scaled as:
+
+.. math:: S = C\frac{s}{s+N}
+
+where :math:`s` is assumed to be the sum of the flowrates of any solids formed in the reaction. 
+
+Only one of :math:`Q` and :math:`S` can be greater than zero at any time, which can be written in the form of a complementarity constraint as:
+
+.. math:: Q - max(0, Q-S) == 0
+
+The :math:`\max()` function is provided as an IDAES utility which provides a smooth max expression with mutable smoothing parameter, :math:`\epsilon`.
+
+**Parameters**
+
+.. csv-table::
+   :header: "Symbol", "Parameter Name", "Indices", "Default", "Description"
+
+   ":math:`O`", "reaction_order", "liq, component", "\-", "Reaction order"    
+    ":math:`C`", "s_scale", "\-", "1", "Scaling factor for the solid term"    
+    ":math:`N`", "s_norm", "\-", "1e-4 (`k_eq_ref` if provided)", "Normalization parameter for the solid term" 
+    ":math:`\epsilon`", "eps", "\-", "1e-4", "Smoothing factor"
+
 Providing a `reaction_order` dict is optional. If one is not provided, it will be assumed that this is an elementary reaction and that the reaction order is equal to the stoichiometric coefficient for all component in non-solid phases (the contribution of solid phases is assumed to be constant and included in the equilibrium constant, thus an order of zero is assumed).
+