fugacio-sim 0.0.1__py3-none-any.whl

fugacio/sim/__init__.py

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+"""Differentiable process-simulation layer for Fugacio (depends on ``fugacio.thermo``).
+
+The layer provides:
+
+* `Stream`: the differentiable material stream passed between units;
+* a stream property bridge (`enthalpy_flow`, `entropy_flow`,
+  `molar_enthalpy`, `molar_entropy`, `mass_flow`) that gives any
+  stream a two-phase-aware enthalpy/entropy via `fugacio.thermo`;
+* unit operations with rigorous material *and* energy balances
+  (`flash_drum`, `heater`, `valve`, `pump`,
+  `compressor`, `turbine`, `mix`, `splitter`,
+  `component_separator`);
+* a thermodynamic-model bridge (`eos_model_for`, `nrtl_model_for`,
+  `uniquac_model_for`, `unifac_model_for`, `saft_model_for`) that turns
+  component names into a ready EOS, gamma-phi, or PC-SAFT `EquilibriumModel`;
+* non-ideal separation units (`flash_vle`, `decanter`,
+  `three_phase_flash`) and binary diagram / azeotrope / residue-curve helpers
+  (`pxy_diagram`, `txy_diagram`, `azeotrope_pressure`,
+  `azeotrope_temperature`, `residue_curve`, `residue_curve_map`);
+* reactor unit operations (`equilibrium_reactor`,
+  `stoichiometric_reactor`, `cstr`, `pfr`,
+  `batch_reactor`) and reactive separations (`reactive_flash`,
+  `reactive_distillation`);
+* a differentiable optimization toolkit (`minimize`, `argmin`,
+  `least_squares`) that differentiates *through the optimum* by the
+  implicit function theorem;
+* design specifications and set-point controllers (`meet_spec`,
+  `solve_design`, `controller`) that adjust a degree of freedom to
+  hit a target, plus end-to-end flowsheet optimization (`optimize_flowsheet`);
+* equipment sizing, Turton bare-module costing, utility pricing, and financial
+  metrics (`heat_exchanger_area`, `bare_module_cost`,
+  `utility_cost`, `total_annual_cost`, `npv`) for money-valued
+  design objectives;
+* differentiable heat integration / pinch analysis (`pinch_analysis`,
+  `composite_curves`, `grand_composite_curve`, `area_target`,
+  `optimal_dt_min`, `synthesize_network`) for minimum-utility targets
+  and heat-exchanger-network synthesis (see `fugacio.sim.integration`);
+* advanced process control: model predictive control and state estimation
+  (`linear_mpc`, `nonlinear_mpc`, `solve_qp`, `dare`,
+  `lqr`, `kalman_gain`, `KalmanFilter`,
+  `ExtendedKalmanFilter`, `UnscentedKalmanFilter`,
+  `moving_horizon_estimate`, `simulate_closed_loop`,
+  `tune_mpc`), differentiable end to end, so the controller weights are
+  tunable by gradient descent (see `fugacio.sim.mpc`);
+* physical steam/cooling-water utilities on IAPWS-95 steam tables
+  (`steam_heating`, `cooling_water`, `steam_turbine`,
+  `condensate_flash_fraction`) for utility balances with real latent
+  heats, differentiable end to end;
+* the original lightweight modified-Raoult helpers (`bubble_pressure`,
+  `antoine_psat`).
+"""
+
+from fugacio.sim.column import (
+    ColumnResult,
+    ShortcutResult,
+    fenske_min_stages,
+    gilliland_stages,
+    kirkbride_feed_stage,
+    relative_volatility,
+    shortcut_column,
+    solve_column,
+    underwood_min_reflux,
+)
+
+# Dynamic simulation & control (time-domain). Imported last; these layers build on
+# the steady-state engine above (control depends on the optimizers, the dynamic
+# units on the thermodynamic property bridge).
+from fugacio.sim.control import (
+    PID,
+    FOPDTModel,
+    PIDState,
+    StateSpace,
+    StepInfo,
+    amigo,
+    bode,
+    cohen_coon,
+    dc_gain,
+    first_order_step,
+    fit_fopdt,
+    fopdt_step,
+    frequency_response,
+    iae,
+    imc_tuning,
+    is_stable,
+    ise,
+    itae,
+    linearize,
+    overshoot,
+    p_only,
+    pi,
+    poles,
+    rise_time,
+    second_order_step,
+    settling_time,
+    step_info,
+    ziegler_nichols,
+)
+from fugacio.sim.design import (
+    DesignSpec,
+    FlowsheetOptResult,
+    SpecResult,
+    controller,
+    meet_spec,
+    optimize_flowsheet,
+    solve_design,
+)
+from fugacio.sim.diagrams import (
+    AzeotropeResult,
+    PxyDiagram,
+    ResidueCurve,
+    TxyDiagram,
+    azeotrope_pressure,
+    azeotrope_temperature,
+    pxy_diagram,
+    residue_curve,
+    residue_curve_map,
+    txy_diagram,
+)
+from fugacio.sim.dynamics import (
+    DynamicCSTR,
+    DynamicEstimateResult,
+    DynamicFlash,
+    DynamicFlowsheet,
+    DynamicResult,
+    DynamicUnit,
+    GasReceiver,
+    LevelTank,
+    MixingTank,
+    ODEResult,
+    OptimalControlResult,
+    ThermalMass,
+    estimate_dynamics,
+    integrate,
+    odeint,
+    odeint_final,
+    optimal_control,
+    simulate,
+    tune_pid,
+)
+from fugacio.sim.economics import (
+    CEPCI_DEFAULT,
+    CEPCI_REF,
+    EquipmentCost,
+    Utility,
+    annualized_capital,
+    bare_module_cost,
+    capital_recovery_factor,
+    column_diameter,
+    column_height,
+    cylinder_volume,
+    discounted_payback,
+    heat_exchanger_area,
+    installed_capital,
+    lmtd,
+    npv,
+    pressure_factor,
+    purchased_cost,
+    total_annual_cost,
+    utility_cost,
+    vapor_molar_volume_ideal,
+    vessel_volume,
+)
+from fugacio.sim.flowsheet import Flowsheet, tear_solve
+from fugacio.sim.integration import (
+    CompositeCurves,
+    Exchanger,
+    GrandComposite,
+    HeatCascade,
+    HeatExchangerNetwork,
+    HeatStream,
+    OptimalDtMin,
+    PinchResult,
+    SuperTargetResult,
+    UnitsTarget,
+    area_target,
+    capital_cost_target,
+    composite_curves,
+    grand_composite_curve,
+    heat_cascade,
+    heat_stream,
+    make_stream,
+    minimum_utilities,
+    optimal_dt_min,
+    pinch_analysis,
+    supertarget,
+    synthesize_network,
+    total_annual_cost_target,
+    units_target,
+    verify_network,
+)
+from fugacio.sim.models import (
+    UnifacModel,
+    eos_model_for,
+    nrtl_model_for,
+    saft_model_for,
+    unifac_model_for,
+    uniquac_model_for,
+)
+
+# Advanced process control (model predictive control + state estimation). Builds on
+# the optimizers, the state-space linearization in ``control`` and the differentiable
+# integrator in ``dynamics``.
+from fugacio.sim.mpc import (
+    ClosedLoop,
+    ExtendedKalmanFilter,
+    GaussianState,
+    KalmanFilter,
+    LinearMPC,
+    MHEResult,
+    MPCResult,
+    MPCState,
+    NMPCResult,
+    NonlinearMPC,
+    QPSettings,
+    QPSolution,
+    UnscentedKalmanFilter,
+    c2d,
+    care,
+    closed_loop_cost,
+    constant_setpoint,
+    dare,
+    discretize,
+    dlqr,
+    kalman_gain,
+    linear_feedback,
+    linear_mpc,
+    lqr,
+    moving_horizon_estimate,
+    nonlinear_feedback,
+    nonlinear_mpc,
+    quadratic_tracking,
+    simulate_closed_loop,
+    solve_qp,
+    solve_qp_canonical,
+    tune_mpc,
+)
+from fugacio.sim.optimize import (
+    OptimizeResult,
+    argmin,
+    least_squares,
+    minimize,
+)
+from fugacio.sim.properties import (
+    column_diameter_for,
+    enthalpy_flow,
+    entropy_flow,
+    liquid_density,
+    liquid_thermal_conductivity,
+    liquid_viscosity,
+    liquid_volumetric_flow,
+    mass_flow,
+    molar_enthalpy,
+    molar_entropy,
+    molar_mass,
+    surface_tension,
+    vapor_density,
+    vapor_thermal_conductivity,
+    vapor_viscosity,
+    vapor_volumetric_flow,
+)
+from fugacio.sim.reactive import (
+    ReactiveColumnResult,
+    ReactiveFlashResult,
+    reactive_distillation,
+    reactive_flash,
+)
+from fugacio.sim.reactors import (
+    ReactorResult,
+    batch_reactor,
+    conversion,
+    cstr,
+    equilibrium_reactor,
+    pfr,
+    stoichiometric_reactor,
+)
+from fugacio.sim.separations import decanter, flash_vle, three_phase_flash
+from fugacio.sim.stream import Stream
+from fugacio.sim.units import (
+    HeaterResult,
+    PumpResult,
+    WorkResult,
+    component_separator,
+    compressor,
+    flash_drum,
+    heater,
+    mix,
+    pump,
+    splitter,
+    turbine,
+    valve,
+)
+from fugacio.sim.utilities import (
+    STEAM_LEVELS,
+    CoolingWaterResult,
+    SteamHeatingResult,
+    SteamTurbineResult,
+    condensate_flash_fraction,
+    cooling_water,
+    saturated_steam_temperature,
+    steam_enthalpy,
+    steam_heating,
+    steam_quality_after_letdown,
+    steam_turbine,
+)
+from fugacio.sim.vle import antoine_psat, bubble_pressure
+
+__all__ = [
+    "CEPCI_DEFAULT",
+    "CEPCI_REF",
+    "PID",
+    "STEAM_LEVELS",
+    "AzeotropeResult",
+    "ClosedLoop",
+    "ColumnResult",
+    "CompositeCurves",
+    "CoolingWaterResult",
+    "DesignSpec",
+    "DynamicCSTR",
+    "DynamicEstimateResult",
+    "DynamicFlash",
+    "DynamicFlowsheet",
+    "DynamicResult",
+    "DynamicUnit",
+    "EquipmentCost",
+    "Exchanger",
+    "ExtendedKalmanFilter",
+    "FOPDTModel",
+    "Flowsheet",
+    "FlowsheetOptResult",
+    "GasReceiver",
+    "GaussianState",
+    "GrandComposite",
+    "HeatCascade",
+    "HeatExchangerNetwork",
+    "HeatStream",
+    "HeaterResult",
+    "KalmanFilter",
+    "LevelTank",
+    "LinearMPC",
+    "MHEResult",
+    "MPCResult",
+    "MPCState",
+    "MixingTank",
+    "NMPCResult",
+    "NonlinearMPC",
+    "ODEResult",
+    "OptimalControlResult",
+    "OptimalDtMin",
+    "OptimizeResult",
+    "PIDState",
+    "PinchResult",
+    "PumpResult",
+    "PxyDiagram",
+    "QPSettings",
+    "QPSolution",
+    "ReactiveColumnResult",
+    "ReactiveFlashResult",
+    "ReactorResult",
+    "ResidueCurve",
+    "ShortcutResult",
+    "SpecResult",
+    "StateSpace",
+    "SteamHeatingResult",
+    "SteamTurbineResult",
+    "StepInfo",
+    "Stream",
+    "SuperTargetResult",
+    "ThermalMass",
+    "TxyDiagram",
+    "UnifacModel",
+    "UnitsTarget",
+    "UnscentedKalmanFilter",
+    "Utility",
+    "WorkResult",
+    "amigo",
+    "annualized_capital",
+    "antoine_psat",
+    "area_target",
+    "argmin",
+    "azeotrope_pressure",
+    "azeotrope_temperature",
+    "bare_module_cost",
+    "batch_reactor",
+    "bode",
+    "bubble_pressure",
+    "c2d",
+    "capital_cost_target",
+    "capital_recovery_factor",
+    "care",
+    "closed_loop_cost",
+    "cohen_coon",
+    "column_diameter",
+    "column_diameter_for",
+    "column_height",
+    "component_separator",
+    "composite_curves",
+    "compressor",
+    "condensate_flash_fraction",
+    "constant_setpoint",
+    "controller",
+    "conversion",
+    "cooling_water",
+    "cstr",
+    "cylinder_volume",
+    "dare",
+    "dc_gain",
+    "decanter",
+    "discounted_payback",
+    "discretize",
+    "dlqr",
+    "enthalpy_flow",
+    "entropy_flow",
+    "eos_model_for",
+    "equilibrium_reactor",
+    "estimate_dynamics",
+    "fenske_min_stages",
+    "first_order_step",
+    "fit_fopdt",
+    "flash_drum",
+    "flash_vle",
+    "fopdt_step",
+    "frequency_response",
+    "gilliland_stages",
+    "grand_composite_curve",
+    "heat_cascade",
+    "heat_exchanger_area",
+    "heat_stream",
+    "heater",
+    "iae",
+    "imc_tuning",
+    "installed_capital",
+    "integrate",
+    "is_stable",
+    "ise",
+    "itae",
+    "kalman_gain",
+    "kirkbride_feed_stage",
+    "least_squares",
+    "linear_feedback",
+    "linear_mpc",
+    "linearize",
+    "liquid_density",
+    "liquid_thermal_conductivity",
+    "liquid_viscosity",
+    "liquid_volumetric_flow",
+    "lmtd",
+    "lqr",
+    "make_stream",
+    "mass_flow",
+    "meet_spec",
+    "minimize",
+    "minimum_utilities",
+    "mix",
+    "molar_enthalpy",
+    "molar_entropy",
+    "molar_mass",
+    "moving_horizon_estimate",
+    "nonlinear_feedback",
+    "nonlinear_mpc",
+    "npv",
+    "nrtl_model_for",
+    "odeint",
+    "odeint_final",
+    "optimal_control",
+    "optimal_dt_min",
+    "optimize_flowsheet",
+    "overshoot",
+    "p_only",
+    "pfr",
+    "pi",
+    "pinch_analysis",
+    "poles",
+    "pressure_factor",
+    "pump",
+    "purchased_cost",
+    "pxy_diagram",
+    "quadratic_tracking",
+    "reactive_distillation",
+    "reactive_flash",
+    "relative_volatility",
+    "residue_curve",
+    "residue_curve_map",
+    "rise_time",
+    "saft_model_for",
+    "saturated_steam_temperature",
+    "second_order_step",
+    "settling_time",
+    "shortcut_column",
+    "simulate",
+    "simulate_closed_loop",
+    "solve_column",
+    "solve_design",
+    "solve_qp",
+    "solve_qp_canonical",
+    "splitter",
+    "steam_enthalpy",
+    "steam_heating",
+    "steam_quality_after_letdown",
+    "steam_turbine",
+    "step_info",
+    "stoichiometric_reactor",
+    "supertarget",
+    "surface_tension",
+    "synthesize_network",
+    "tear_solve",
+    "three_phase_flash",
+    "total_annual_cost",
+    "total_annual_cost_target",
+    "tune_mpc",
+    "tune_pid",
+    "turbine",
+    "txy_diagram",
+    "underwood_min_reflux",
+    "unifac_model_for",
+    "uniquac_model_for",
+    "units_target",
+    "utility_cost",
+    "valve",
+    "vapor_density",
+    "vapor_molar_volume_ideal",
+    "vapor_thermal_conductivity",
+    "vapor_viscosity",
+    "vapor_volumetric_flow",
+    "verify_network",
+    "vessel_volume",
+    "ziegler_nichols",
+]
+
+__version__ = "0.0.1"