Activated Sludge Model ASM3h

doc/interface/reaction/activated_sludge_model.rst

@@ -0,0 +1,276 @@
+.. _activated_sludge_model_config:
+
+Activated Sludge Model (ASM3h)
+~~~~~~~~~~~~~~~~~~~~~~~~~
+
+**Group /input/model/unit_XXX/reaction - REACTION_MODEL = ACTIVATED_SLUDGE_MODEL3**
+
+For information on model equations, refer to :ref:`activated_sludge_model`.
+
+**Component configuration**
+
+``ASM3_COMP_IDX``
+
+   Optional component indexes. Set this in case the relevant components start at a certain offset or are provided
+   in a different order than listed below:
+
+   =============  =========
+   **Component**  **Index**
+   =============  =========
+   SO             0
+   SS             1
+   SNH            2
+   SNO            3
+   SN2            4
+   SALK           5
+   SI             6
+   XI             7
+   XS             8
+   XH             9
+   XSTO           10
+   XA             11
+   XMI            12
+   =============  =========
+
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{N}`  **Length:** 13
+   ================  =============================  ========================================================
+
+**Environment/process parameters**
+
+``ASM3_T``
+
+   Temperature :math:`T`.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_V``
+
+   Reactor volume :math:`V`. Set this to the column volume since the model can't compute it itself.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\gt 0`       **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_IO2``
+
+   Aeration oxygen input :math:`iO_2`.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\ge 0`       **Length:** 1
+   ================  =============================  ========================================================
+
+**Maximum rates**
+
+``ASM3_KH20``
+
+   Hydrolysis rate constant :math:`k_H` at 20 °C.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_KSTO20``
+
+   Maximum storage rate :math:`K_{STO}` at 20 °C.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\gt 0`       **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_MU_H20``
+
+   Heterotrophic max. growth rate :math:`\mu_{H}` at 20 °C.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_BH20``
+
+   Rate constant for lysis and decay :math:`b_H` at 20 °C.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_MU_AUT20``
+
+   Autotrophic max. growth rate :math:`\mu_{AUT}` at 20 °C.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_BAUT20``
+
+   Rate constant :math:`b_{AUT}` for decay of autotrophs at 20 °C.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+**Anoxic reduction factors**
+
+``ASM3_ETA_HNO3``
+
+   Anoxic reduction factor :math:`\eta_{HNO_3}` – heterotrophic growth.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_ETAH_END``
+
+   Anoxic reduction factor :math:`\eta_{H_{end}}` – endogenous respiration XH.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_ETAN_END``
+
+   Anoxic reduction factor :math:`\eta_{N_{end}}` – endogenous respiration XA.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+**Saturation/inhibition coefficients**
+
+``ASM3_KX``
+
+   Saturation/inhibition coefficient :math:`KX` for particulate COD.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_KHO2``
+
+   Saturation/inhibition coefficient :math:`KHO_2` for oxygen, heterotrophic growth.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_KHSS``
+
+   Saturation/inhibition coefficient :math:`KHSS` for readily biodegradable substrates.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_KHNO3``
+
+   Saturation/inhibition coefficient :math:`KHNO_3` for nitrate.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_KHNH4``
+
+   Saturation/inhibition coefficient :math:`KHNH_4` for ammonium (nutrient).
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_KHALK``
+
+   Saturation coefficient :math:`KH_{ALK}` for alkalinity (HCO3-).
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_KHSTO``
+
+   Saturation coefficient :math:`KH_{STO}` for storage products.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_KNO2``
+
+   Saturation coefficient :math:`K_{NO_2}` for oxygen, autotrophic growth.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_KNNH4``
+
+   Saturation coefficient :math:`K_{NNH_4}` for ammonium (substrate), autotrophic growth.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+``ASM3_KNALK``
+
+   Saturation coefficient :math:`K_{NALK}` for alkalinity (HCO3-), autotrophic growth.
+
+   ================  =============================  ========================================================
+   **Type:** double  **Range:** :math:`\mathbb{R}`  **Length:** 1
+   ================  =============================  ========================================================
+
+**Example**
+
+.. python::
+
+	# Example of setting up an ASM3 reaction model in a unit operation with bulk reaction
+
+	# Setup ASM3 reaction for unit 000 with example values
+	model.root.input.model.unit_000.reaction_model = 'ACTIVATED_SLUDGE_MODEL3'
+	model.root.input.model.unit_000.reaction_bulk.asm3_insi = 0.01
+	model.root.input.model.unit_000.reaction_bulk.asm3_inss = 0.03
+	model.root.input.model.unit_000.reaction_bulk.asm3_inxi = 0.04
+	model.root.input.model.unit_000.reaction_bulk.asm3_inxs = 0.03
+	model.root.input.model.unit_000.reaction_bulk.asm3_inbm = 0.07
+	model.root.input.model.unit_000.reaction_bulk.asm3_ivss_xi = 0.751879699
+	model.root.input.model.unit_000.reaction_bulk.asm3_ivss_xs = 0.555555556
+	model.root.input.model.unit_000.reaction_bulk.asm3_ivss_sto = 0.6
+	model.root.input.model.unit_000.reaction_bulk.asm3_ivss_bm = 0.704225352 
+	model.root.input.model.unit_000.reaction_bulk.asm3_itss_vss_bm = 1.086956522
+
+
+	model.root.input.model.unit_000.reaction_bulk.asm3_fiss_bm_prod = 1
+	model.root.input.model.unit_000.reaction_bulk.asm3_fsi = 0
+	model.root.input.model.unit_000.reaction_bulk.asm3_yh_aer = 0.8
+	model.root.input.model.unit_000.reaction_bulk.asm3_yh_anox = 0.65
+
+	model.root.input.model.unit_000.reaction_bulk.asm3_ysto_aer = 0.8375
+	model.root.input.model.unit_000.reaction_bulk.asm3_ysto_anox = 0.7
+	model.root.input.model.unit_000.reaction_bulk.asm3_fxi = 0.2
+	model.root.input.model.unit_000.reaction_bulk.asm3_ya = 0.24
+	model.root.input.model.unit_000.reaction_bulk.asm3_kh20 = 9
+	model.root.input.model.unit_000.reaction_bulk.asm3_kx = 1
+	model.root.input.model.unit_000.reaction_bulk.asm3_ksto20 = 12
+	model.root.input.model.unit_000.reaction_bulk.asm3_mu_h20 = 3
+	model.root.input.model.unit_000.reaction_bulk.asm3_bh20 = 0.33
+	model.root.input.model.unit_000.reaction_bulk.asm3_eta_hno3 = 0.5
+	model.root.input.model.unit_000.reaction_bulk.asm3_khO2 = 0.2
+	model.root.input.model.unit_000.reaction_bulk.asm3_khss = 10
+	model.root.input.model.unit_000.reaction_bulk.asm3_khno3 = 0.5
+	model.root.input.model.unit_000.reaction_bulk.asm3_khnh4 = 0.01
+	model.root.input.model.unit_000.reaction_bulk.asm3_khalk = 0.1
+	model.root.input.model.unit_000.reaction_bulk.asm3_khsto = 0.1
+	model.root.input.model.unit_000.reaction_bulk.asm3_mu_aut20 = 1.12
+	model.root.input.model.unit_000.reaction_bulk.asm3_baut20 = 0.18
+	model.root.input.model.unit_000.reaction_bulk.asm3_etah_end = 0.5
+	model.root.input.model.unit_000.reaction_bulk.asm3_etan_end = 0.5
+	model.root.input.model.unit_000.reaction_bulk.asm3_kno2 = 0.5
+	model.root.input.model.unit_000.reaction_bulk.asm3_knnh4 = 0.7
+	model.root.input.model.unit_000.reaction_bulk.asm3_knalk = 0.5
+	model.root.input.model.unit_000.reaction_bulk.asm3_t = 12
+
+
+	model.root.input.model.unit_000.reaction_bulk.asm3_v = 1000.0
+	model.root.input.model.unit_000.reaction_bulk.asm3_io2 = 0.0

doc/interface/reaction/index.rst

@@ -8,6 +8,7 @@ Reaction models
 
     mass_action_law
     michaelis_menten_kinetics
+    activated_sludge_model
 
 Externally dependent reaction models
 ------------------------------------

doc/modelling/reaction/activated_sludge_model.rst

@@ -0,0 +1,11 @@
+.. _activated_sludge_model:
+
+Activated Sludge Model (ASM3h)
+-------------------------
+
+Activated Sludge Models are a group of reaction models published by the International Water Association (IWA)
+and mostly used for modelling biological processes in wastewater treatment plants.
+
+The ASM3h model implemented in CADET is a variant of the ASM3 model and documented in the SIMBA# software suite.
+
+For more information on model parameters required to define in CADET file format, see :ref:`activated_sludge_model_config`.

doc/modelling/reaction/index.rst

@@ -17,6 +17,10 @@ Historically, a chromatography system is modeled as a reaction system without co
  - :ref:`thomas_model`
  - :ref:`rate_constant_distribution_theory`
 
+More specialized models are also implemented:
+
+ - :ref:`activated_sludge_model`
+
 .. _dependence-on-external-function_react:
 
 Dependence on external function

src/libcadet/CMakeLists.txt

@@ -116,7 +116,7 @@ set(LIBCADET_REACTIONMODEL_SOURCES
 	${CMAKE_SOURCE_DIR}/src/libcadet/model/reaction/DummyReaction.cpp
 	${CMAKE_SOURCE_DIR}/src/libcadet/model/reaction/MassActionLawReaction.cpp
 	${CMAKE_SOURCE_DIR}/src/libcadet/model/reaction/MichaelisMentenReaction.cpp
-
+	${CMAKE_SOURCE_DIR}/src/libcadet/model/reaction/ActivatedSludgeModelThree.cpp
 	${CMAKE_SOURCE_DIR}/src/libcadet/model/reaction/CrystallizationReaction.cpp
 )
 

src/libcadet/ReactionModelFactory.cpp

@@ -22,6 +22,7 @@ namespace cadet
 			void registerMassActionLawReaction(std::unordered_map<std::string, std::function<model::IDynamicReactionModel*()>>& reactions);
 			void registerDummyReaction(std::unordered_map<std::string, std::function<model::IDynamicReactionModel*()>>& reactions);
 			void registerMichaelisMentenReaction(std::unordered_map<std::string, std::function<model::IDynamicReactionModel*()>>& reactions);
+			void registerActivatedSludgeModelThreeReaction(std::unordered_map<std::string, std::function<model::IDynamicReactionModel* ()>>& reactions);
 
 			void registerCrystallizationReaction(std::unordered_map<std::string, std::function<model::IDynamicReactionModel*()>>& reactions);
 		}
@@ -33,6 +34,7 @@ namespace cadet
 		model::reaction::registerDummyReaction(_dynamicModels);
 		model::reaction::registerMassActionLawReaction(_dynamicModels);
 		model::reaction::registerMichaelisMentenReaction(_dynamicModels);
+		model::reaction::registerActivatedSludgeModelThreeReaction(_dynamicModels);
 
 		model::reaction::registerCrystallizationReaction(_dynamicModels);
 	}