notebook_index.yml

meta:
  author: Dan Gunter
front_matter:
  -
    title: Introduction
    text: >-2
      The [IDAES](https://www.idaes.org) integrated platform ships with a number of examples which can be run on
      the user's own computer.
      This page provides links to these examples and provides some guidance in the order in which to try them.


      The IDAES examples are contained in Jupyter Notebooks. In order to view and
      use this content, you need to open the files with the Jupyter notebook executable
      (which may be configured on your system as the default application for files of this
      type). To get started with Jupyter, please
      see the [Jupyter website](https://jupyter.org) or jump directly to the
      [official Jupyter Notebook documentation pages](https://jupyter-notebook.readthedocs.io/en/stable/).

      In addition to viewing and running the examples interactively on your own computer, you can see fully rendered,
      static versions of the examples in the online
      [examples documentation](https://IDAES.github.io/examples-pse/) pages. For reference documentation
      on the IDAES integrated platform, please see the online
      [IDAES-PSE documentation](https://idaes-pse.readthedocs.io/en/stable/index.html).
  -
    title: Usage
    text: >-2
      The example notebooks contained in this folder are divided into two sub-types, each with their own folder:
        * `Tutorials`: Notebooks that are written as tutorials complete with guided exercises
        * `Examples`: Notebooks that do not have tutorial content.

      Below is an ordering of both types of examples
      to help progressively learn how to use the IDAES integrated platform (IDAES-IP). Successive sections give
      more details on each of these example sections.

      * Beginner
        * Start with the tutorials under [Tutorials/Basics](#tutorials.basics)
        * Run the examples under [Examples/Basics](#examples.basics)
      * Intermediate
        * Run some selected examples under [Tutorials/UnitModels](#tutorials.unitmodels)
        * Also run at least one tutorial in [Tutorials/Advanced/Custom unit models](#tutorials.advanced.customunit) and
          [Tutorials/Advanced/Custom property packages](#tutorials.advanced.customproperties)
        * `At this point you should stop and try some of your own code`
      * Advanced
        * Run tutorials in [Tutorials/Advanced](#tutorials.advanced) for other topics of interest
          * [Parameter estimation](#tutorials.advanced.paramest)
          * [Surrogate models](#tutorials.advanced.surrmod)
          * [Materials optimization](#tutorials.advanced.matopt)
        * Also run examples in the [Examples/Advanced](#examples.advanced) section
contents:
  -
    name: Tutorials
    description: >-2
      All the notebooks in this folder have three different files
      that represent different variations on the same content. The suffix of the filename indicates
      something about the variation contained in that file. For example, if the notebook is named "a_notebook", then
      you would expect the following files:
        * `a_notebook_exercise.ipynb`: Main notebook. *This is the one most users should run.*
        * `a_notebook_solution.ipynb`: Notebook with solutions to the exercises included
        * `a_notebook_solution_testing.ipynb`: Notebook with additional cells to test the correctness of the solution.
          This file does not normally need to be opened by users.


      For ease of reading, we will indicate notebooks by their name before the suffixes. For example, if you see
      "Introduction" as the notebook name, then you should open the file `Introduction_exercise.ipynb`.
      Links to the exercise and exercise + solution files will be provided for each notebook.
    subfolders:
      -
        name: Basics
        description: Basic tutorials to get started with using Python, Pyomo, and the IDAES-CMF
        notebooks:
          - introduction_short: Short version of an introduction to Python and Pyomo
          - introduction: Full version of an introduction to Python and Pyomo
          - flash_unit: Simulate a flash unit
          - HDA_flowsheet: Perform optimization of a hydrodealkylation process
          - idaes_visualizer: Tutorial on how to use the Visualizer for IDAES flowsheets
      -
        name: Advanced
        description: Advanced tutorials on topics such as parameter estimation and custom property packages.
        subfolders:
          -
            name: ParamEst
            title: "Parameter Estimation"
            description: Three variations on doing parameter estimation for NRTL
            notebooks:
              - parameter_estimation_NRTL_using_state_block: >
                  Use Pyomo's `parmest` tool in conjunction with IDAES models for estimating the parameters
                  associated with the NRTL property model for a benzene-toluene mixture, using the IDAES
                  state block.
              - parameter_estimation_NRTL_using_unit_model: >
                  Use Pyomo's `parmest` tool in conjunction with IDAES models for estimating the parameters
                  associated with the NRTL property model for a benzene-toluene mixture, using the IDAES
                  unit model.
              - DMF_1_for_parameter_estimation_NRTL_using_unit_model: >
                  Demonstrate storing provenance for estimated parameters associated with the NRTL property model
                  in the DMF.
  -
    name: Examples
    description: This section has example notebooks that do not have exercises and solutions.
    subfolders:
      -
        name: UnitModels
        title: "Unit Models"
        description: Unit model examples
        subfolders:
          -
            name: Operations
            title: "Operations"
            description: Detailed examples on importing and implementing IDAES unit models in flowsheets
            notebooks:
              - compressor: "Compressor Unit Model with Span-Wagner Property Package for supercritical CO2"
              - feed: Feed unit model with modular property package
              - feed flash: Feed Flash unit model with modular property package
              - flash: Flash unit model with modular property package
              - heater: >
                  Heat a liquid mixture of benzene-toluene using a simple heater unit model and
                  an ideal property package
              - heat exchanger 0D: Heat Exchanger 0D unit model heating a benzene-toluene mixture using steam
              - heat exchanger 1D: Heat Exchanger 1D unit model heating a benzene-toluene mixture using steam
              - heat exchanger lc: Heat Exchanger Lumped-Capacitance unit model heating a benzene-toluene mixture using steam
              - heat exchanger NTU: Heat Exchanger NTU unit model for heat integration of two aqueous MEA streams
              - mixer: Mixer unit model with ideal property package
              - product: Product unit model with modular property package
              - pump: Pump unit model with iapws property package
              - separator: Separator unit model with modular property package
              - skeleton unit: Skeleton unit model demonstrating custom variables, ports, and constraints
              - statejunction: StateJunction with modular property package
              - translator: Translator unit model with modular property packages
              - turbine: Turbine unit model with iapws property package
              - valve: Valve unit model with iapws property package
          -
            name: Reactors
            title: "Reactors"
            description: Detailed examples on importing and implementing IDAES reactor models in flowsheets
            notebooks:
              - cstr: CSTR unit model with ideal property package, pure liquid phase and rate-kinetics reaction
              - equilibrium_reactor: Equilibrium reactor unit model with Peng-Robinson EOS, pure vapor phase and equilibrium-kinetics reaction
              - gibbs_reactor: Gibbs reactor unit model with pure vapor phase equilibrium
              - plug_flow_reactor: Plug flow reactor unit model with ideal property package, liquid phase and rate-kinetics reaction
              - stoichiometric_reactor: Stoichiometric reactor unit model with ideal property package, liquid phase and rate-kinetics reaction
      -
        name: Tools
        title: "Tools for working with IDAES"
        notebooks:
          - data_management_framework: Introduction to the IDAES Data Management Framework (DMF)
          - degeneracy_hunter: Introduction to DegeneracyHunter, a tool for nonlinear optimization model diagnostics
      -
        name: Flowsheets
        title: "Simulation and Optimization of Flowsheets"
        notebooks:
          - HDA_flowsheet_with_distillation: Optimize hydrodealkylation process with a distillation column
          - HDA_flowsheet_with_costing: Apply IDAES Process Costing Framework for HDA capital cost calculations
          - methanol_synthesis: Optimize gas-phase methanol synthesis from hydrogen and carbon monoxide
        subfolders:
          -
            name: power_generation
            title: "Simulation and Optimization of Power Generation Flowsheets"
            subfolders:
              -
                name: ngcc
                title: "Natural Gas Combined Cycle (NGCC) Flowsheets"
                notebooks:
                  - ngcc: Run the baseline NGCC simulation and a series of turndown simulations
                  - ngcc_soec: Run a combined NGCC-SOEC simulation with power plant costing
              -
                name: ngfc
                title: "Natural Gas Fuel Cell (NGFC) Flowsheet"
                notebooks:
                  - NGFC_flowsheet: Steady-state simulation of NGFC power plant without carbon capture
              -
                name: sofc_soec
                title: "Solid Oxide Fuel Cell (SOFC) + Solid Oxide Electrolysis Cell (SOEC) Flowsheet"
                notebooks:
                  - sofc_soec: Run a combined SOFC-SOEC simulation with power plant costing
              -
                name: rsofc
                title: "Natural Gas Fuel Cell (NGFC) Flowsheet"
                notebooks:
                  - rsofc_soec: Run a combined RSOFC-SOEC simulation with power plant costing
              -
                name: sofc
                title: "Solid Oxide Fuel Cell (SOFC) Flowsheet"
                notebooks:
                  - sofc: Simulate an SOFC power plant at partial load
              -
                name: subcritical
                title: "Subcritical Pulverized Coal Fired Power Plant Flowsheets"
                notebooks:
                  - subcritical_boiler: Simulate a subcritical boiler system
              -
                name: supercritical
                title: "Supercritical Pulverized Coal Fired Power Plant Flowsheets"
                notebooks:
                  - supercritical_steam_cycle: Simulate a typical supercritical steam cycle
                  - supercritical_power_plant: Simulate a typical supercritical powerplant including boiler and steam cycle
          -
            name: adsorption_desorption
            title: "Adsorption and Desorption Using 1D Fixed Bed Model"
            notebooks:
              - CO2_Adsorption_Desorption_example_1DFixedBed: Adsorption and desorption of CO2 and H2O example with the IDAES 1D fixed bed model
      -
        name: Advanced
        description: Examples of advanced capabilities of the IDAES-Core
        subfolders:
          -
            name: CustomUnitModels
            title: "Custom Unit Models"
            description: Customized unit models
            notebooks:
              - custom_compressor: Constant-heat-capacity ideal-gas isentropic compressor
              - custom_heater: Custom heater unit
          -
            name: CustomProperties
            desc: Custom property packages
            notebooks:
              - custom_physical_property_packages: "Introduction to writing custom physical property packages"
              - custom_reaction_property_packages: "Introduction to writing custom reaction property packages"
# Currently, the air separation case study and HC processing example fail
#              - air_separation_case_study: "Property package for air separation units (N2, O2, Ar mixture)"
#              - hydrocarbon_processing_example: "Property packages for hydrocarbon Gibbs reactor unit"
          -
            name: DataRecon
            title: "Data reconciliation"
            description: Data reconciliation and parameter estimation
            notebooks:
              - boiler_flowsheet_recon: >
                  Data reconciliation with a flowsheet heat exchanger network, the boiler subflowsheet consist of an
                  economizer, water wall, primary superheater, platen superheater, finishing superheater, and reheater.
                  Data for this example was generated by adding noise to supercritical power plant simulations.
              - econ_recon: >
                  Data reconciliation with a single unit model, an economizer.
                  Data for this example was generated by adding noise to supercritical power plant simulations.
              - econ_parmest: >
                  Parameter estimation continuing from the data reconciliation results in `econ_recon`
      -
        name: SurrMod
        title: "Surrogate Modeling"
        description: Surrogate modeling examples, broken down into packages
        subfolders:
          -
            name: FlowsheetOptimization
            description: Demonstration of surrogate integration and optimization in IDAES flowsheets
            notebooks:
              - ALAMO_flowsheet_optimization: Demonstration of training, visualization and flowsheet integration using ALAMO surrogates
              - PySMO_flowsheet_optimization: Demonstration of training, visualization and flowsheet integration using PySMO surrogates
              - Keras_flowsheet_optimization: Demonstration of training, visualization and flowsheet integration using Keras surrogates
              - Best_practices_optimization: Demonstration of surrogate comparison and results analysis for model selection
          -
            name: PySMO
            description: Python Surrogate Modeling Objects
            notebooks:
              - PySMO_basics: Examples for the PySMO surrogate modeling package
          -
            name: RIPE
            description:
            notebooks:
              - RIPE_isothermal_CSTR: Use RIPE to model an isothermal CSTR unit
      -
        name: MatOpt
        title: "Materials optimization"
        description: >-
          Examples of the MatOpt interface for representing material properties and specifying optimization problems.
        notebooks:
          - monometallic_nanocluster_design:  Minimization of cohesive energy in nanoclusters
          - bimetallic_nanocluster_design: >-
              Optimize a bimetallic cluster by "labelling" the sites of a pre-defined monometallic cluster
          - surface_design: >-
              MatOpt example optimization problem of designing a monometallic nanostructured catalyst surface
          - bifunctional_surface_design: >-
              Example optimization problem of designing a nanostructured bifunctional catalyst
          - metal_oxide_bulk_design: >-
              How to optimally place dopant in a perovskite lattice
      -
        name: Pecos
        title: "Data quality control and fault detection"
        description: >-
          Examples of Pecos interface for data quality control and fault detection
        notebooks:
          - data_quality_control:  Simple data quality control example
      -
        name: DAE
        title: "Differential Algebraic Equation (DAE) Tools"
        description: >-
          Examples of IDAES DAE tools
        notebooks:
          - petsc_chem_example:  Example of using the PETSc DAE solver with chemical reactions
          - petsc_pid_example: Example of using the PETSc DAE solver with a PID controller