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thermodynamics

Here are 240 public repositories matching this topic...

CoolProp / CoolProp

Thermophysical properties for the masses

thermodynamics fluid-properties

Updated Apr 12, 2022
C++

CalebBell / thermo

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

chemistry cheminformatics physics molecule thermodynamics chemical-engineering mechanical-engineering viscosity density heat-capacity thermal-conductivity surface-tension combustion environmental-engineering solubility vapor-pressure equation-of-state process-simulation

Updated Apr 9, 2022
Python

wbierbower / awesome-physics

🌌 A collaborative list of awesome software for exploring Physics concepts

physics geophysics scientific-computing thermodynamics astrophysics awesome-list optics electromagnetics mechanics quantum-physics relativity

Updated Aug 24, 2021

ReactionMechanismGenerator / RMG-Py

Open

Write Critical Properties to CHEMKIN Files

dylanrubini commented Mar 13, 2022

Topic

General area which your question is related to.

Question

Is there a simple way to write critical properties (i.e., critical temperature and critical pressure) for each chemical

Read more

Type: Feature Topic: Cantera Complexity: Medium Good First Issue

Open

Typo at RMG User's Guide

1

Open

Removing the excessive debug comment

Find more good first issues

pycalphad / pycalphad

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

python materials thermodynamics materials-science calphad pycalphad

Updated Mar 29, 2022
Python

DanWBR / dwsim5

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

cross-platform math chemistry excel thermodynamics chemical-engineering process-simulation

Updated Apr 16, 2020
Visual Basic .NET

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.

python simulation thermodynamics cooling energy-system powerplant heating refrigeration process-engineering exergy

Updated Apr 9, 2022
Python

DanWBR / dwsim

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

simulation modeling cad thermodynamics chemical-engineering computer-aided-design thermodynamics-models unit-operation flowsheeting thermo-library

Updated Apr 11, 2022
Visual Basic .NET

biosteam

BioSTEAMDevelopmentGroup / biosteam

Open

Anaconda Installation

yoelcortes commented Jan 16, 2021

I've received requests for setting up a "conda" installation for BioSTEAM. This is not a priority for now, but any help (resources or direct contributions) would be really helpful!

Thanks :)

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enhancement good first issue

Open

Missing essential unit operation models

3

ypaul21 / Clapeyron.jl

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

julia thermodynamics equation-of-state solvers saft molecular-modeling cosmo-sac

Updated Apr 12, 2022
Julia

iurisegtovich / PyTherm-applied-thermodynamics

Educational ipython source code for applied thermodynamics.

education course-materials thermodynamics equation-of-state educational applied-thermodynamics physical-chemistry courseware interactive-courseware

Updated Mar 24, 2020
Jupyter Notebook

BioSTEAMDevelopmentGroup / thermosteam

BioSTEAM's Premier Thermodynamic Engine

reaction chemical properties thermodynamics chemical-engineering mixture vapor-liquid-equilibrium material-and-energy-balance equations-of-state liquid-liquid-equilibrium

Updated Apr 2, 2022
Python

ESPEI

PhasesResearchLab / ESPEI

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

python materials thermodynamics materials-science calphad pycalphad

Updated Feb 23, 2022
Python

DanWBR / dwsim4

DWSIM - Open Source Chemical Process Simulator, version 4

thermodynamics chemical-engineering process-simulation

Updated Sep 6, 2017
Visual Basic

MRod5 / pyturb

Gas models, combustion and gas turbine solver.

thermodynamics combustion gas-model jet gas-turbine jet-engine air-model combustion-thermodynamics

Updated Nov 28, 2021
Python

billzt / PrimerServer2

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

html5 thermodynamics blast d3js primer-design throughput-primer specific-primers

Updated Feb 8, 2022
Python

ORNL-CEES / thermochimica

THERMOCHIMICA is a computational library for chemical thermodynamics. It determines a unique combination of phases and their compositions for a prescribed chemical composition, temperature and pressure. The solver and the underlying thermodynamic models can be used to estimate the chemical state and various constitutive and transport properties necessary for various materials and process models.

chemistry fortran thermodynamics equilibrium

Updated Apr 8, 2022
Fortran

ReactionMechanismGenerator / ARC

Open

Create a log file per species

alongd commented Jun 28, 2021

Is your feature request related to a problem? Please describe.
When running many species / reaction in ARC, it is often helpful to trace the history of a single species or TS. The current log file is too large to do that conveniently.

Describe the solution you'd like
Create a log file in the output folder of each species / TS with the relevant data.

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Type: Feature Good first issue

Open

Scrape CCCBDB for geomerties

Open

Wrong model chemistry determination when not explicitly specifying the sp level

Find more good first issues

chmarti1 / PYroMat

PYroMat thermodynamic properties in Python

python thermodynamics pyro thermodynamic-properties

Updated Apr 13, 2022
Python

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.

engineering excel chemical predictive calculations thermodynamics chemical-engineering equation-of-state vba mixture multi-component vba-excel peng-robinson peng-robinson-equation

Updated Oct 18, 2018
Visual Basic

volpatto / gibbs

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

optimization thermodynamics chemical-engineering mechanical-engineering

Updated Jan 18, 2022
Python

SolarTherm / SolarTherm

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

engineering energy simulation thermodynamics solar modelica modelica-library optimisation

Updated Apr 7, 2022
Modelica

jon85p / pyENL

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

python engineering solver equation solve-equations thermodynamics fluids fluid-dynamics

Updated Mar 7, 2021
Python

neqsim

equinor / neqsim

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

processing java thermodynamics equation-of-state fluid-properties process-simulation physical-properties pvt oil-and-gas phase-equilibrium gas-transport gas-production

Updated Apr 9, 2022
Java

uberCad / uberCad

uberCad - is in-browser DXF editor

editor threejs browser webpack reactjs cad thermodynamics dxf flixo

Updated Mar 15, 2022
JavaScript

libantioch / antioch

C++ Chemical Kinetics, Thermodynaimics, and Transport Library

c-plus-plus chemistry threadsafe thermodynamics chemical-kinetics transport-properties vexcl-support

Updated Feb 8, 2019
C++

KurtzmanLab / SSTMap

Solvation Structure and Thermodynamic Mapping

thermodynamics solvation solvation-structure

Updated Nov 5, 2021
Python

neqsimpython

equinor / neqsimpython

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

python thermodynamics equation-of-state fluid-properties fluid-dynamics process-simulation pvt thermodynamic-properties oil-and-gas gas-transport gas-production oil-production

Updated Apr 4, 2022
Python

alan-turing-institute / ThermodynamicAnalyticsToolkit

Sampling-based approach to analyse neural networks using TensorFlow

statistical-analysis thermodynamics neural-networks sampling diffusion-maps langevin-dynamics hamiltonian-dynamics

Updated Apr 10, 2019
Python

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-dynamics openmm molecular-simulation thermodynamics lammps charmm force-field namd gromacs tinker opls-aa

Updated Aug 2, 2018

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