thermodynamics

There are 23 repositories under thermodynamics topic.

• CoolProp / CoolProp

  Thermophysical properties for the masses

  fluid-propertiesthermodynamics
  Language:C++ 757

• CalebBell / thermo

  Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)

  thermodynamicschemistrycheminformaticschemical-engineeringmechanical-engineeringviscositydensityheat-capacitythermal-conductivitysurface-tensioncombustionenvironmental-engineeringsolubilityvapor-pressureequation-of-statemoleculeprocess-simulationphysics
  Language:Python 602

• wbierbower / awesome-physics

  🌌 A collaborative list of awesome software for exploring Physics concepts

  physicsscientific-computingawesome-listmechanicsthermodynamicselectromagneticsopticsrelativityquantum-physicsastrophysicsgeophysics
  471

• ReactionMechanismGenerator / RMG-Py

  Python version of the amazing Reaction Mechanism Generator (RMG).

  reactionspythonthermodynamicschemistrychemistry-discoverykinetics
  Language:Python 376
• dwsim

  DanWBR / dwsim

  DWSIM is a Steady-State and Dynamic Sequential Modular Chemical Process Simulator for Windows, Linux and macOS.

  flowsheetingchemical-engineeringthermodynamicsthermodynamics-modelsunit-operationsimulationmodelingthermo-librarycadcomputer-aided-design
  Language:Visual Basic .NET 273

• pycalphad / pycalphad

  CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.

  calphadmaterialsmaterials-sciencepycalphadpythonthermodynamics
  Language:Python 272
• tespy

  oemof / tespy

  Thermal Engineering Systems in Python (TESPy). This package provides a powerful simulation toolkit for thermal engineering plants such as power plants, district heating systems or heat pumps.

  coolingenergy-systemexergyheatingpowerplantprocess-engineeringpythonrefrigerationsimulationthermodynamic-cyclesthermodynamics
  Language:Python 257

• ClapeyronThermo / Clapeyron.jl

  Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.

  thermodynamicssaftsolversmolecular-modelingequation-of-statecosmo-sacjuliaphase-equilibriaphase-equilibriumunifac
  Language:Julia 187
• biosteam

  BioSTEAMDevelopmentGroup / biosteam

  The Biorefinery Simulation and Techno-Economic Analysis Modules; Life Cycle Assessment; Chemical Process Simulation Under Uncertainty

  distillationflashbiorefinerybioprocessfermentationthermodynamicspumpmonte-carloheat-exchangertechno-economic-analysischemical-engineeringbiochemical-processunit-operationprocess-simulationsensitivity-analysisreactorcentrifugelife-cycle-assessment
  Language:Python 172

• DanWBR / dwsim5

  DWSIM - Open Source Chemical Process Simulator (5.x series)

  thermodynamicschemistrychemical-engineeringprocess-simulationmathcross-platformexcel
  Language:Visual Basic .NET 160

• feos-org / feos

  FeOs - A Framework for Equations of State and Classical Density Functional Theory

  rustequation-of-statephysicsthermodynamicsthermodynamic-propertiesthermodynamics-modelschemical-engineeringpythondensity-functional-theory
  Language:Rust 109

• billzt / PrimerServer2

  PrimerServer2: a high-throughput primer design and specificity-checking platform

  primer-designthermodynamicshtml5d3jsblastthroughput-primerspecific-primers
  Language:Python 72
• PyVaporation

  Membrizard / PyVaporation

  The solution for modelling pervaporation membrane performance based on experimental data

  pervaporationdiffusionmembranesmodelling-toolchemical-engineeringpythonscientificscipyvapour-pressureenvironmental-engineeringheat-capacityphysicsprocess-simulationthermodynamicsvaporisation-heatuniquacvapor-liquid-equilibrium
  Language:Jupyter Notebook 71

• iurisegtovich / PyTherm-applied-thermodynamics

  Educational ipython source code for applied thermodynamics.

  applied-thermodynamicsthermodynamicsequation-of-statephysical-chemistryeducationeducationalcourse-materialscoursewareinteractive-courseware
  Language:Jupyter Notebook 67

• chmarti1 / PYroMat

  PYroMat thermodynamic properties in Python

  pythonthermodynamic-propertiesthermodynamics
  Language:Python 66

• MRod5 / pyturb

  Gas models, combustion and gas turbine solver.

  gas-turbinethermodynamicsjetjet-engineair-modelcombustion-thermodynamicsgas-modelcombustion
  Language:Python 63
• neqsim

  equinor / neqsim

  NeqSim is a library for calculation of fluid behavior, phase equilibrium and process simulation

  equation-of-statefluid-propertiesgas-productiongas-transportjavaoil-and-gasphase-equilibriumphysical-propertiesprocess-simulationprocessingpvtthermodynamics
  Language:Java 60
• ESPEI

  PhasesResearchLab / ESPEI

  Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59

  calphadthermodynamicspythonmaterialsmaterials-sciencepycalphad
  Language:Python 60

• BioSTEAMDevelopmentGroup / thermosteam

  BioSTEAM's Premier Thermodynamic Engine

  thermodynamicsreactionchemicalmixturepropertiesvapor-liquid-equilibriummaterial-and-energy-balancechemical-engineeringequations-of-stateliquid-liquid-equilibrium
  Language:Python 57

• kyleniemeyer / computational-thermo

  This is a collection of examples in computational thermodynamics.

  thermodynamicspythoncomputational-thermodynamicscanteramechanical-engineering
  Language:Jupyter Notebook 57
• neqsim-python

  equinor / neqsim-python

  NeqSim is a library for calculation of fluid behavior, phase equilibrium and process simulation. This project is a Python interface to NeqSim.

  equation-of-statefluid-dynamicsfluid-propertiesgas-productiongas-transportoil-and-gasoil-productionprocess-simulationpvtpythonthermodynamic-propertiesthermodynamics
  Language:Python 54

• ftherrien / VaspGibbs

  A simple way to calculate Gibbs free energy from Vasp calculations

  abinitio-simulationsvaspgibbs-energythermodynamics
  Language:Python 50
• PyFluids

  portyanikhin / PyFluids

  A simple, full-featured, lightweight CoolProp wrapper for Python

  coolpropfluidshumidmixturesairpropertiesthermodynamicsthermophysical
  Language:Python 45

• stevecalderone / Chemical-Engineering-Thermodynamics

  User Defined Functions for multi-component thermodynamic calculations of the Predictive Peng-Robinson 1978 Equation of State. Clean VBA functions - no UI changes and no pop up messages. Errors are reported in cell comments. Import Math.bas, ModArraySupport.bas and ChemE_Functions.bas into PData.xlsx and save as xlsm or simply download PData.xlsm.

  chemicalengineeringthermodynamicsequation-of-statepeng-robinsonpredictiveexcelvbavba-excelcalculationsmulti-componentchemical-engineeringpeng-robinson-equationmixture
  Language:Visual Basic 44

• DanWBR / dwsim4

  DWSIM - Open Source Chemical Process Simulator, version 4

  chemical-engineeringprocess-simulationthermodynamics
  Language:Visual Basic 43

• ORNL-CEES / thermochimica

  Computational library for chemical thermodynamics and phase equilibrium calculation. Multiphysics and standalone estimations of chemical state and constitutive and transport properties.

  chemistrythermodynamicsequilibriumfortrancalphad
  Language:Fortran 43

• ReactionMechanismGenerator / ARC

  ARC - Automatic Rate Calculator

  thermodynamicskinetic-modelingautomationquantum-chemistryarcreactionsrate-coefficients
  Language:Python 42

• volpatto / gibbs

  An open source python library for equilibrium calculation based on global minimization of Gibbs free energy.

  thermodynamicschemical-engineeringmechanical-engineeringoptimization
  Language:Python 42

• KurtzmanLab / SSTMap

  Solvation Structure and Thermodynamic Mapping

  thermodynamicssolvation-structuresolvation
  Language:Python 38

• SolarTherm / SolarTherm

  Solar thermal power/fuel station performance simulation and optimisation using Modelica. Read a paper about our project: https://is.gd/solth

  engineeringenergysolarthermodynamicsoptimisationsimulationmodelicamodelica-library
  Language:Modelica 35

• fedebenelli / PyForFluids

  PyForFluids: Fluids Properties Based on Equations of State

  thermodynamicsfluidsequation-of-state
  Language:Fortran 34

• uberCad / uberCad

  uberCad - is in-browser DXF editor

  reactjsthreejsdxfcadeditorbrowserwebpackthermodynamicsflixo
  Language:JavaScript 32

• leelasd / OPLSAA-DB

  Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Gromacs, NAMD, CHARMM, LAMMPS, TINKER, CNS/X-PLOR, Q, DESMOND, BOSS and MCPRO.

  molecular-dynamicsmolecular-simulationforce-fieldopls-aalammpsgromacsnamdcharmmtinkeropenmmthermodynamics
  31

• CoolProp / CoolProp.jl

  A Julia wrapper for CoolProp, offering access to thermodynamic properties for fluids and mixtures.

  fluidsthermodynamics
  Language:Julia 30

• jon85p / pyENL

  Cross-platform engineering nonlinear equations systems solver [Under construction 🚧]

  engineeringequationpythonsolve-equationssolverthermodynamicsfluidsfluid-dynamics
  Language:Python 30

• pyequion / pyequion2

  Pure python package for electrolyte equilibrium calculation

  thermodynamicschemicalspython
  Language:Python 27