Welcome to pychemqt’s documentation!

• Introduction
• Dependencies
• Features
• TODO

Introduction

pychemqt is intended to be a free software tool for calculation and design of unit operations in chemical engineering. The goal is to develop free software equivalent to CHEMCAD or hysys. It is written in python using qt as a graphics library, so that it is cross-platform.

Dependencies

• python3, version 3.x required

• pyqt binding, support both PyQt5 and PyQt6

• Numpy-scipy: python library for mathematical computation

• matplotlib: python library for graphical representation of data

• iapws: python library for thermodynamic properties of water by IAPWS standards

Optional applications that are required for pychemqt to work with full functionality:

• freesteam: package for calculating thermodynamic properties of water by IAPWS-IF97

• coolprop: package for calculating thermodynamic properties using multiparameter equations of state, required 6.x version.

• python-refprop: package for calculating thermodynamic properties using refprop NIST application

• openbabel: used to show compound extended formula in database

• ezodf: package for integration with OpenDocument spreadsheet (ods)

• openpyxl: package for integration with Microsoft Excel 2007/2010 (xlsx)

• xlwt: package for integration with Microsoft Excel 97/2000/XP/2003 (xls)

• reportlab: package to export pdf reports

• PyQt5-Qscintilla: Custom code viewer and editor with syntax highlight

Features

The development is slow, so the software in in pre-alpha status, with many bugs and with only a few features implemented:

• UI with support for flow diagrams

• Database with 800 components

• Definition of custom compounds

• Stream definition with temperature, pressure and composition

• Thermodynamic EoS:

  • Redlich-Kwong (RK)

  • Soave-Redlich-Kwong (SRK)

  • Modified Soave-Redlich-Kwong (MSRK)

  • Peng-Robinson (PR)

  • Peng-Robinson-Stryjek-Vera (PRSV)

  • Benedict-Webb-Rubin-Starling (BWRS)

  • Lee-Kesler

  • EoS multi-parameter type Setzmann-Wagner for several pure fluids

  • GERG EoS for mixtures (Partial)

• Equipment:

  • Divider

  • Mixer

  • Valve

  • Pipe (Partial)

  • Compressor

  • Expander

  • Pump

  • Generic Heat Exchanger (without design)

  • Double Pipe Heat Exchanger (Partial)

  • Shell and Tube Heat Exchanger (Partial)

  • Fired Heater Heat Exchanger

  • Flash LV

  • Distillation column (simple method FUG)

  • Ciclon

  • Gravity Chamber

  • ElectricPrecipitator

  • Baghouse

  • Spreadsheet equipment (ods,xlsx)

• Tools

  • Units converter

  • Currency converter

  • Periodic table of elements

  • Psychometric chart

  • High quality calculation of properties using multi-parameter equations

  • Introspection support with a python shell (Linux only)

• Configurable: Units system, property correlation, EoS to use…

• Internationalization support: english, spanish.

TODO

• Make more equations of state available

• Improve the gui

• Add more equipment: complete heat exchanger, distillation columns, reactors…

• Clean code and debug bugs

• Add testing of libraries

• Improve documentation

For any suggestions, comments, bugs … you can contact me at email.

Indices and tables

• Index

• Module Index

• Search Page

API reference

• equipment package
  • Submodules
    • equipment.Baghouse module
    • equipment.Ciclon module
    • equipment.ColumnFUG module
    • equipment.Compressor module
    • equipment.Divider module
    • equipment.Dryer module
    • equipment.ElectricPrecipitator module
    • equipment.Fired_Heater module
    • equipment.Flash module
    • equipment.GravityChamber module
    • equipment.Hairpin module
    • equipment.Heat_Exchanger module
    • equipment.Mixer module
    • equipment.Pipe module
    • equipment.Pump module
    • equipment.Reactor module
    • equipment.Scrubber module
      • References
    • equipment.Shell_Tube module
    • equipment.Spreadsheet module
    • equipment.Turbine module
    • equipment.Valve module
• lib package
  • Submodules
    • lib.adimensional module
      • References
    • lib.atmosphere module
      • Gaussian()
      • Pasquill_Gifford_Stability()
      • BriggsDispersion()
      • References
    • lib.bip module
      • Kij()
      • Mix_vdW1f()
      • Mix_Stryjek_Vera()
      • Mix_Panagiotopoulos()
      • Mix_Melhem()
      • Mixing_Rule()
    • lib.compuestos module
      • References
    • lib.config module
      • getComponents()
      • getMainWindowConfig()
      • setMainWindowConfig()
      • Entity
    • lib.coolProp module
      • References
    • lib.corriente module
    • lib.crude module
      • References
    • lib.datasheet module
      • pdf
    • lib.drag module
      • Configuration
      • Example
      • Barati()
      • Clift()
      • Ceylan()
      • Almedeij()
      • Morrison()
      • Morsi()
      • Khan()
      • Flemmer()
      • Haider()
      • Turton()
      • Concha()
      • Swamee()
      • Cheng()
      • Terfous()
      • Mikhailov()
      • dragSphere()
      • References
    • lib.elemental module
      • cleanFloat()
      • _configValues()
      • Elemental
    • lib.EoS module
      • lib.EoS.BWRS module
      • lib.EoS.BWRSoave module
      • lib.EoS.Lee_Kesler module
      • lib.EoS.Cubic module
      • lib.EoS.Grayson_Streed module
      • lib.EoS.virial module
    • lib.eos module
      • References
    • lib.fitting module
      • References
    • lib.freeSteam module
    • lib.friction module
      • References
    • lib.gerg module
      • References
    • lib.heatTransfer module
      • Nu_vertical_Churchill()
      • h_tubeside_laminar_Eubank_Proctor()
      • h_tubeside_laminar_VDI()
      • h_tubeside_laminar_Hausen()
      • h_tubeside_laminar_Sieder_Tate()
      • h_tubeside_turbulent_Sieder_Tate()
      • h_tubeside_turbulent_Colburn()
      • h_tubeside_turbulent_Dittus_Boelter()
      • h_tubeside_turbulent_ESDU()
      • h_tubeside_turbulent_Gnielinski()
      • h_tubeside_turbulent_VDI()
      • h_anulli_Laminar()
      • h_anulli_Turbulent()
      • h_anulli_Transition()
      • Nu_Convection_Free_External_Horizontal_Plate()
      • h_tube_Condensation_Akers()
      • h_tube_Condensation_Cavallini()
      • h_tube_Condensation_Boyko()
      • h_tube_Condensation_Shah()
      • h_tube_Condensation_Kosky()
      • h_tube_Condensation_Traviss()
      • efectividad()
      • TemperatureEffectiveness()
      • CorrectionFactor()
      • NTU_fPR()
      • Fi()
      • References
    • lib.iapws97 module
      • References
    • lib.mEoS
      • lib.mEoS.He
      • lib.mEoS.Ne
      • lib.mEoS.Ar
      • lib.mEoS.Kr
      • lib.mEoS.Xe
      • lib.mEoS.H2
      • lib.mEoS.D2
      • lib.mEoS.pD2
      • lib.mEoS.oD2
      • lib.mEoS.pH2
      • lib.mEoS.oH2
      • lib.mEoS.N2
      • lib.mEoS.O2
      • lib.mEoS.F2
      • lib.mEoS.Cl2
      • lib.mEoS.H2O
      • lib.mEoS.D2O
      • lib.mEoS.CO2
      • lib.mEoS.CO
      • lib.mEoS.N2O
      • lib.mEoS.SO2
      • lib.mEoS.COS
      • lib.mEoS.NH3
      • lib.mEoS.H2S
      • lib.mEoS.CH4
      • lib.mEoS.C2
      • lib.mEoS.C3
      • lib.mEoS.nC4
      • lib.mEoS.iC4
      • lib.mEoS.nC5
      • lib.mEoS.neoC5
      • lib.mEoS.iC5
      • lib.mEoS.nC6
      • lib.mEoS.iC6
      • lib.mEoS.nC7
      • lib.mEoS.nC8
      • lib.mEoS.iC8
      • lib.mEoS.nC9
      • lib.mEoS.nC10
      • lib.mEoS.nC11
      • lib.mEoS.nC12
      • lib.mEoS.nC16
      • lib.mEoS.nC22
      • lib.mEoS.C3_pentane
      • lib.mEoS.C22_butane
      • lib.mEoS.C23_butane
      • lib.mEoS.Cyclopropane
      • lib.mEoS.Cyclopentane
      • lib.mEoS.Cyclohexane
      • lib.mEoS.C1Cyclohexane
      • lib.mEoS.C3Cyclohexane
      • lib.mEoS.Benzene
      • lib.mEoS.Toluene
      • lib.mEoS.oXylene
      • lib.mEoS.mXylene
      • lib.mEoS.pXylene
      • lib.mEoS.EthylBenzene
      • lib.mEoS.Ethylene
      • lib.mEoS.Propylene
      • lib.mEoS.Butene_1
      • lib.mEoS.iButene
      • lib.mEoS.Cis_2_butene
      • lib.mEoS.Trans_2_butene
      • lib.mEoS.Hexene_1
      • lib.mEoS.Propyne
      • lib.mEoS.C1Oleate
      • lib.mEoS.C1Linolenate
      • lib.mEoS.C1Linoleate
      • lib.mEoS.C1Palmitate
      • lib.mEoS.C1Stearate
      • lib.mEoS.Methanol
      • lib.mEoS.Ethanol
      • lib.mEoS.Acetone
      • lib.mEoS.EthyOxide
      • lib.mEoS.PropylenGlycol
      • lib.mEoS.DME
      • lib.mEoS.DEE
      • lib.mEoS.DMC
      • lib.mEoS.NF3
      • lib.mEoS.SF6
      • lib.mEoS.HCl
      • lib.mEoS.R13I1
      • lib.mEoS.R11
      • lib.mEoS.R12
      • lib.mEoS.R13
      • lib.mEoS.R14
      • lib.mEoS.R21
      • lib.mEoS.R22
      • lib.mEoS.R23
      • lib.mEoS.R32
      • lib.mEoS.R40
      • lib.mEoS.R41
      • lib.mEoS.R113
      • lib.mEoS.R114
      • lib.mEoS.R115
      • lib.mEoS.R116
      • lib.mEoS.R123
      • lib.mEoS.R124
      • lib.mEoS.R125
      • lib.mEoS.R134a
      • lib.mEoS.R141b
      • lib.mEoS.R142b
      • lib.mEoS.R143a
      • lib.mEoS.R150
      • lib.mEoS.R152a
      • lib.mEoS.R161
      • lib.mEoS.R218
      • lib.mEoS.R227ea
      • lib.mEoS.R236ea
      • lib.mEoS.R236fa
      • lib.mEoS.R245ca
      • lib.mEoS.R245fa
      • lib.mEoS.R365mfc
      • lib.mEoS.RC318
      • lib.mEoS.R1123
      • lib.mEoS.R1234yf
      • lib.mEoS.R1234zeE
      • lib.mEoS.R1234zeZ
      • lib.mEoS.R1243zf
      • lib.mEoS.R1216
      • lib.mEoS.R1233zd
      • lib.mEoS.R1336mzzE
      • lib.mEoS.R1336mzzZ
      • lib.mEoS.RE143a
      • lib.mEoS.RE245cb2
      • lib.mEoS.RE245fa2
      • lib.mEoS.RE347mcc
      • lib.mEoS.Novec649
      • lib.mEoS.VinylCl
      • lib.mEoS.C4F10
      • lib.mEoS.C5F12
      • lib.mEoS.C6F14
      • lib.mEoS.D4
      • lib.mEoS.D5
      • lib.mEoS.D6
      • lib.mEoS.MDM
      • lib.mEoS.MD2M
      • lib.mEoS.MD3M
      • lib.mEoS.MD4M
      • lib.mEoS.MM
      • lib.mEoS.Air
      • lib.mEoS.R404a
      • lib.mEoS.R407c
      • lib.mEoS.R410a
      • lib.mEoS.R507a
      • lib.mEoS.LJ
    • lib.meos module
      • References
    • lib.mezcla module
      • References
    • lib.newComponent module
      • References
    • lib.openbabel module
    • lib.petro module
      • References
    • lib.physics module
      • normal()
      • lognormal()
      • weibull()
      • cubicCardano()
      • Cunningham()
      • Collision_Neufeld()
      • References
    • lib.pipeDatabase module
    • lib.plot module
    • lib.psycrometry module
      • References
    • lib.reaction module
    • lib.refProp module
      • References
    • lib.solids module
    • lib.sql module
      • transformElement()
      • inserElementsFromArray()
      • updateElement()
      • deleteElement()
      • getElement()
      • copyElement()
    • lib.thermo module
    • lib.thread module
      • WaitforClick
      • Evaluate
    • lib.unidades module
    • lib.utilities module
      • representacion()
      • colors()
      • exportTable()
      • spreadsheetColumn()
      • formatLine()
      • SimpleEq()
      • refDoc()
• plots package
  • Submodules
    • plots.moody module
    • plots.drag module
    • plots.standing module
• tools package
  • Submodules
    • tools.codeEditor module
      • SimplePythonEditor
    • tools.costIndex module
    • tools.dependences module
      • ShowDependences
    • tools.doi module
    • tools.firstrun module
      • which()
      • Preferences()
      • config()
      • getrates()
      • createDatabase()
    • tools.pdf module
      • PDFWidget
      • openPDF()
    • tools.qt module
    • tools.qtelemental module
    • tools.terminal module
      • XTerm
    • tools.UI_confComponents module
    • tools.UI_confResolution module
    • tools.UI_confThermo module
    • tools.UI_confTransport module
    • tools.UI_confUnits module
    • tools.UI_databank module
    • tools.UI_Preferences module
    • tools.UI_psychrometry module
    • tools.UI_Tables module
    • tools.UI_unitConverter module
• UI package
  • Submodules
    • UI.BIP module
    • UI.UI_corriente module
    • UI.bombaCurva module
    • UI.delegate module
      • CellEditor
      • SpinEditor
      • CheckEditor
      • ComboEditor
    • UI.flujo module
    • UI.inputTable module
    • UI.mainWindow module
    • UI.newComponent module
    • UI.petro module
    • UI.plots module
    • UI.texteditor module
    • UI.viewComponents module
    • UI.widgets module
    • UI.wizard module

Here there is a complete list of refererences used in the program.