ChemApp for Python
  • Introduction
    • Package Contents
    • Descriptive Naming
    • ChemApp
    • Important Computing Aspects
    • Python
      • The Language
      • Versions
      • Packages and Modules
    • Anaconda
      • Python Distributions
      • On Virtual Environments
    • PyCharm
    • Visual Studio Code
  • Getting Started
    • Get the Installation Files
      • Anaconda
      • PyCharm Community
      • Visual Studio Code
      • ChemApp for Python
    • Installing Software
      • ChemApp for Python with Anaconda
        • Windows
        • Linux
      • ChemApp for Python with a Bare Python Installation
        • Windows
        • Linux
      • ChemApp for Python with Python virtualenv
        • Windows
        • Linux
    • Importing ChemApp for Python Components
    • Getting Help
  • Equi2Py: Convert Equilib calculation files to Python scripts
    • Installation
    • Using Equi2Py
      • Command Line Tool
      • Calling Examples
      • Using Equi2Py in Your Code
  • Advanced features
    • Content Overview
    • Result Objects
      • Creation of result objects
    • Creation of stream objects
    • Update checks & persistent configuration
    • ChemApp Logging
    • Input of complex chemical formulae
      • Rationale & workflow
      • Accepted input formats
      • Using set_IA_cfs()
      • Leveraging Composition explicitly
        • Key features of Composition
        • Properties & methods
        • Examples
  • Stream Functionalities
    • Streams: the Building Blocks of Process Flowsheets
    • The StreamCalculation Class
    • Creation of Streams
      • Manual Stream Creation
        • create_st
      • Complex Formula-Based Stream Creation
        • create_stream_from_complex_formulas / create_st_cfs
      • StreamState-Based Creation
      • Result-Based Stream Creation
        • create_stream_by_state
        • State-Specific Stream Creation: create_gas_stream / create_liquid_stream / create_solid_stream
      • Filtered Stream Creation: create_stream
    • Stream Operations and Management
      • set_IA_pc
        • Stream Property Access: get_st_Cp / get_st_G / get_st_H / get_st_S / get_st_V
        • Stream Cleanup: remove_st / remove_sts
    • Process Flowsheeting with Stream Reactions
      • Isothermal reaction: reaction_isothermal
      • Adiabatic reaction: reaction_adiabatic
      • Diathermal reaction: reaction_diathermal
      • General reaction: reaction
        • Process Integration Examples - Flowsheeting at Work
    • Product Separation and Stream Splitting
      • Density-Based Separation
        • create_streams_by_density
        • split_by_density
      • Phase-Based Separation
      • Element-Based Separation
      • Stream Combination
    • Applications and Parametric Studies
      • Secondary Steelmaking Example
      • Parametric Studies
    • Complete Workflow Example
    • See also
  • Update checks and persistent configuration
    • File location and format
    • Update mechanism
    • Configuration API
    • Density / volume estimation preference
    • Operational notes
  • Using the friendly Module
    • ChemApp for Python’s friendly vs basic Module
      • Descriptive Naming
      • Functions Organised into Groups
      • More Specific Functions
      • More Powerful Functions
      • Using Sophisticated Data Types
    • Function Groups
      • Info Group
      • Units Group
      • ThermochemicalSystem Group
      • EquilibriumCalculation Group
      • StreamCalculation Group
      • PhaseMapCalculation Group
      • Base Classes
    • Worked Examples
      • Print Data-file Contents
      • Equilibrium Composition of Mixture Phases
      • Equilibrium Composition of Mixture Phases
      • Simple Process Using Streams
      • One-dimensional Phase Mapping
      • Streams and Density Functionalities
    • Tutorials
      • Working with Info Functions
      • Working with Units Functions
        • Checking Units
        • Changing Units
      • Working with Thermochemical Functions
        • Load thermochemical datafile
        • Getting the molar mass
        • Get Y (mass fraction) of a system component or phase constituent
        • Set the status of a phase
      • Working with EquilibriumCalculation Functions
        • Equilibrium calculation
        • Target equilibrium calculation
      • Working with StreamCalculation Functions
        • Equilibrium calculation with two streams
        • Target calculation with stream calculation
      • Working with PhaseMap Functions
        • Equilibrium calculation with two streams
        • Vary incoming amounts to get phase transition
  • The core Module
    • Approach
    • Content Overview
      • Errors
      • Enumerations
      • Classes
        • Utility Classes
        • Base Classes
        • Information Classes
        • Configuration Classes
        • State Classes
  • Using the basic Module
    • API Changes in Python
      • Indexing: 0-based instead of 1-based
      • Error Handling
      • Function Return Values
      • Function Parameter Default Values
      • Enumerations Instead of Strings
      • Values Returned by tqsetc
    • Worked Examples
      • Print Data File Contents
      • Equilibrium Composition of Mixture Phases
      • Phase Equilibria and Phase Target Calculations
      • Simple Process Using Streams
      • One-dimensional Phase Mapping
  • Release Notes
    • ChemApp for Python Release 836.0.1
    • Equi2Py Release 1.0.15
    • ChemApp for Python Release 834.0.7
    • ChemApp for Python Release 834.0.6
    • ChemApp for Python Release 834.0.5
    • ChemApp for Python Release 834.0.4
    • ChemApp for Python Release 834.0.3
    • Equi2Py Release 1.0.11
    • Equi2Py Release 1.0.10
    • ChemApp for Python Release 831.2.0
    • ChemApp for Python Release 831.1.0
    • Equi2Py Release 1.0.9
    • ChemApp for FactSage Release 826.2.0
    • Equi2Py Release 1.0.8
    • Equi2Py Release 1.0.7
    • Equi2Py Release 1.0.6
    • ChemApp for FactSage Release 826.1.1
    • Equi2Py Release 1.0.4
    • ChemApp for FactSage Release 826.1
    • ChemApp Release 8.2.6
    • ChemApp Release 8.2.5
    • ChemApp Release 8.2.3
    • ChemApp Release 8.1.6
    • ChemAppPy Release 1.6.2
    • ChemAppPy Release 1.4
    • ChemAppPy Release 1.4
    • ChemAppPy Release 1.3
    • ChemAppPy Release 1.2
      • Additions, Changes and Fixes
    • ChemAppPy Release 1.1
      • Additions, Changes and Fixes
      • Known Issues
    • ChemAppPy Release 1.0
      • Additions, Changes and Fixes
    • ChemAppPy Light 0.3.7 (Beta 3)
      • Additions, Changes and Fixes
    • ChemAppPy Light 0.3.5 (Beta 2.1)
    • ChemAppPy Light 0.3.4 (Beta 2)
  • Package Reference
    • chemapp.core
      • Exceptions
      • Classes
      • Functions
      • Module Contents
        • VolumeEstimateSetting
        • AmountUnit
        • EnergyUnit
        • VolumeUnit
        • PressureUnit
        • TemperatureUnit
        • Quantity
        • ConditionVariable
        • InteractionVariable
        • LimitVariable
        • IoOption
        • ConfigurationOption
        • ChemAppError
        • ChemAppInfo
        • ChemAppLightError
        • ChemAppPyError
        • ChemicalFormulaIncomingAmountState
        • Composition
        • EquilibriumCalculationResult
        • StreamCalculationResult
        • FunctionData
        • FunctionSumVariable
        • IncomingAmountState
        • DataFormat
        • PhaseConfig
        • PhaseConstituentConfig
        • PhaseConstituentData
        • PhaseConstituentIncomingAmountState
        • PhaseConstituentState
        • PhaseConstituentVariable
        • PhaseMapVariable
        • PhaseMatterState
        • PhaseState
        • ResultVariable
        • SolutionModel
        • Status
        • StreamState
        • StreamVariable
        • SystemComponentConfig
        • SystemComponentIncomingAmountState
        • SystemComponentState
        • TargetVariable
        • ThermochemicalSystemConfig
        • find_state()
        • switch_components()
        • ConvertableObject
    • chemapp.friendly
      • Static Classes
      • Descriptive Naming
      • Exceptions
      • Classes
      • Functions
      • Module Contents
        • AmountUnit
        • ChemAppError
        • ChemAppInfo
        • ChemAppPyError
        • ChemicalFormulaIncomingAmountState
        • Composition
        • ConditionVariable
        • ConfigurationOption
        • EnergyUnit
        • EquilibriumCalculationResult
        • InteractionVariable
        • IoOption
        • PhaseConfig
        • PhaseConstituentConfig
        • PhaseConstituentData
        • PhaseConstituentIncomingAmountState
        • PhaseConstituentState
        • PhaseConstituentVariable
        • PhaseMapVariable
        • PhaseState
        • PressureUnit
        • Quantity
        • ResultVariable
        • SolutionModel
        • Status
        • StreamCalculationResult
        • StreamState
        • StreamVariable
        • SystemComponentConfig
        • SystemComponentIncomingAmountState
        • SystemComponentState
        • TargetVariable
        • TemperatureUnit
        • ThermochemicalSystemConfig
        • VolumeUnit
        • switch_components()
        • VolumeEstimateSetting
        • AbsoluteEquilibriumCalculationBase
        • EquilibriumCalculation
        • EquilibriumCalculationBase
        • Info
        • PhaseMapCalculation
        • StreamCalculation
        • ThermochemicalSystem
        • Units
    • chemapp.basic
      • Classes
      • Functions
      • Module Contents
        • AmountUnit
        • ChemAppError
        • ConditionVariable
        • ConfigurationOption
        • EnergyUnit
        • FunctionData
        • FunctionSumVariable
        • InteractionVariable
        • IoOption
        • LimitVariable
        • PhaseConstituentData
        • PhaseConstituentVariable
        • PhaseMapVariable
        • PressureUnit
        • Quantity
        • ResultVariable
        • SolutionModel
        • Status
        • StreamVariable
        • TargetVariable
        • TemperatureUnit
        • VolumeUnit
        • disable_logging()
        • enable_logging()
        • tqbond()
        • tqcdat()
        • tqce()
        • tqcel()
        • tqcen()
        • tqcenl()
        • tqcfct()
        • tqchar()
        • tqcio()
        • tqclim()
        • tqclos()
        • tqcnsc()
        • tqconf()
        • tqcprt()
        • tqcsp()
        • tqcspc()
        • tqcsu()
        • tqcsum()
        • tqefct()
        • tqerr()
        • tqgdat()
        • tqgdpc()
        • tqgetr()
        • tqgfct()
        • tqgio()
        • tqgnlc()
        • tqgnp()
        • tqgnpc()
        • tqgnsc()
        • tqgpar()
        • tqgsp()
        • tqgspc()
        • tqgsu()
        • tqgsum()
        • tqgted()
        • tqgthi()
        • tqgtid()
        • tqgtlc()
        • tqgtnm()
        • tqgtpi()
        • tqgtrh()
        • tqifct()
        • tqini()
        • tqinlc()
        • tqinp()
        • tqinpc()
        • tqinsc()
        • tqlite()
        • tqlpar()
        • tqmap()
        • tqmapl()
        • tqmodl()
        • tqnexc()
        • tqnfct()
        • tqnolc()
        • tqnop()
        • tqnopc()
        • tqnosc()
        • tqnosl()
        • tqnpar()
        • tqopen()
        • tqopna()
        • tqopnt()
        • tqpcis()
        • tqrcst()
        • tqremc()
        • tqrfil()
        • tqsetc()
        • tqshow()
        • tqsize()
        • tqstca()
        • tqstec()
        • tqstpc()
        • tqstrm()
        • tqstsc()
        • tqsttp()
        • tqstxp()
        • tqused()
        • tqvers()
        • tqwasc()
        • tqwstr()
  • Cheat sheet
ChemApp for Python
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