chemical-engineering

There are 47 repositories under chemical-engineering topic.

CalebBell / thermo
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
thermodynamics chemistry cheminformatics chemical-engineering mechanical-engineering viscosity density heat-capacity thermal-conductivity surface-tension combustion environmental-engineering solubility vapor-pressure equation-of-state molecule process-simulation physics
Language:Python 592
aphros
cselab / aphros
Finite volume solver for incompressible multiphase flows with surface tension. Foaming flows in complex geometries.
multiphase-flow surface-tension cfd chemical-engineering high-performance-computing fluid paraview simulation
Language:C++ 373
CalebBell / fluids
Fluid dynamics component of Chemical Engineering Design Library (ChEDL)
fluid-dynamics atmosphere pipe compressible-fluid-dynamics chemical-engineering mechanical-engineering valve open-channel tank friction pressure-drop two-phase pump drag reynolds sedimentation engineering pipeline process-simulation particle-size-distribution
Language:Python 340
dwsim
DanWBR / dwsim
DWSIM is a Steady-State and Dynamic Sequential Modular Chemical Process Simulator for Windows, Linux and macOS.
flowsheeting chemical-engineering thermodynamics thermodynamics-models unit-operation simulation modeling thermo-library cad computer-aided-design
Language:Visual Basic .NET 263
IDAES / idaes-pse
The IDAES Process Systems Engineering Framework
chemical-engineering process-modeling process-systems-engineering
Language:Python 200
CalebBell / ht
Heat transfer component of Chemical Engineering Design Library (ChEDL)
heat-transfer heat-exchanger air-cooler tube-bank condensation boiling chemical-engineering mechanical-engineering pressure-drop radiation process-simulation engineering insulation flow-boiling nucleate-boiling reboiler cross-flow
Language:Python 181
biosteam
BioSTEAMDevelopmentGroup / biosteam
The Biorefinery Simulation and Techno-Economic Analysis Modules; Life Cycle Assessment; Chemical Process Simulation Under Uncertainty
distillation flash biorefinery bioprocess fermentation thermodynamics pump monte-carlo heat-exchanger techno-economic-analysis chemical-engineering biochemical-process unit-operation process-simulation sensitivity-analysis reactor centrifuge life-cycle-assessment
Language:Python 171
chemics
wigging / chemics
A Python package for chemical engineering
python chemistry chemical-engineering density viscosity thermal-conductivity pressure fluidization biomass
Language:Python 163
DanWBR / dwsim5
DWSIM - Open Source Chemical Process Simulator (5.x series)
chemical-engineering chemistry cross-platform excel math process-simulation thermodynamics
Language:Visual Basic .NET 159
kevingreenman / awesome-chemical-engineering-education
A curated list of online chemical engineering education resources
awesome-list chemical-engineering awesome cheminformatics cheminformatics-and-compchem chemistry education python-chemistry
103
feos-org / feos
FeOs - A Framework for Equations of State and Classical Density Functional Theory
rust equation-of-state physics thermodynamics thermodynamic-properties thermodynamics-models chemical-engineering python density-functional-theory
Language:Rust 100
SUNCAT-Center / catmap
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
chemical-engineering chemical-kinetics catalyst materials-science materials-informatics python catmap materials-screening materials-design
Language:Python 87
heat-pinn
314arhaam / heat-pinn
A Physics-Informed Neural Network to solve 2D steady-state heat equation.
physics-informed-neural-networks physics-informed-ml heat-transfer heat-equation machine-learning deep-learning chemical-engineering process-engineering finite-difference partial-differential-equations python3 physics
Language:Jupyter Notebook 80
SUNCAT-Center / CatKit
General purpose tools for high-throughput catalysis
catalyst materials-informatics computational-chemistry chemical-reaction-networks chemical-kinetics combinatorics chemical-engineering materials-science catalysis-informatics
Language:Python 80
PyVaporation
Membrizard / PyVaporation
The solution for modelling pervaporation membrane performance based on experimental data
chemical-engineering diffusion environmental-engineering heat-capacity membranes modelling-tool pervaporation physics process-simulation python scientific scipy thermodynamics uniquac vapor-liquid-equilibrium vaporisation-heat vapour-pressure
Language:Jupyter Notebook 71
edgarsmdn / MLCE_book
Hands-on material for a Machine Learning in Chemical Engineering course
chemical-engineering deep-learning machine-learning process-systems-engineering python jupyter-book
Language:Jupyter Notebook 68
Eric-Bradford / UKF-SNMPC
This repository contains the source code for “Unscented Kalman filter stochastic nonlinear model predictive control” (UKF-SNMPC).
model-predictive-control differential-equations stochastic robust-control unscented-transformation nonlinear-optimization casadi python27 chemical-engineering
Language:Python 58
BioSTEAMDevelopmentGroup / thermosteam
BioSTEAM's Premier Thermodynamic Engine
thermodynamics reaction chemical mixture properties vapor-liquid-equilibrium material-and-energy-balance chemical-engineering equations-of-state liquid-liquid-equilibrium
Language:Python 56
ASALI
srebughini / ASALI
Do you work with chemical reactors? Are you curious about them? ASALI is the open-source code that you are looking for. Chemical reactor models, transport/thermodynamic properties of gases, equilibrium calculations. ASALI couples all these features with an user friendly graphical interface. Modeling catalytic reactors has never been so easy.
catalytic-reactors transport-properties thermodynamic-properties windows ubuntu chemical-equilibrium-calculations cantera gas-mixtures vacuum-properties equilibrium reactor-models chemical-engineering
Language:C++ 49
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.
chemical engineering thermodynamics equation-of-state peng-robinson predictive excel vba vba-excel calculations multi-component chemical-engineering peng-robinson-equation mixture
Language:Visual Basic 44
DanWBR / dwsim4
DWSIM - Open Source Chemical Process Simulator, version 4
chemical-engineering process-simulation thermodynamics
Language:Visual Basic 42
volpatto / gibbs
An open source python library for equilibrium calculation based on global minimization of Gibbs free energy.
thermodynamics chemical-engineering mechanical-engineering optimization
Language:Python 42
Eric-Bradford / Nominal_NMPC
A basic nonlinear model predictive control implementation using Casadi with Unscented Kalman filter state estimation
chemical-engineering unscented-kalman-filter nonlinear-optimization automatic-differentiation nonlinear-dynamics control-systems python3 model-predictive-control casadi differential-equations
Language:Python 41
OpenChemE / CHBE356
CHBE 356 - Process Dynamics and Control
ubc canada engineering process-control chemical-engineering education signals
Language:Jupyter Notebook 39
FiammettaC / Chemical-Reaction-Engineering-in-Python
This repository contains a practical course designed for chemical engineers that want to learn how to solve exercises and program in Python. The course will cover various topics, such as basic Python syntax, data structures, solving ODEs, stoichiometry, data visualization and basic data analysis.
chemical-engineering chemical-reactions education ode reactors stoichiometry reactor-design
Language:Jupyter Notebook 36
Eric-Bradford / SDD-GP-MPC
This repository contains the source code for "Stochastic data-driven model predictive control using Gaussian processes" (SDD-GP-MPC).
casadi chemical-engineering constraints gaussian-processes machine-learning model-predictive-control monte-carlo-simulation optimization-algorithms python3 state-space-model stochastic-processes differential-equations
Language:Python 33
PinchAnalysis-Console
LuisEduardoCorreaGallego / PinchAnalysis-Console
This application allows calculate heat integration for heat exchangers using Python on console mode. Sponsor this repository for access.
chemical-engineering heat-integration heat-exchanger pinch-analysis
32
sbednarz / modeling
Modeling in Chemical Technology: Numerical Calculations with Python
chemical-engineering numerical-calculations python chemistry education simulation
31
lollcat / DistillationTrain-Gym
Deep reinforcement learning for design of distillation column trains (chemical engineering process synthesis)
reinforcement-learning process-synthesis chemical-engineering
Language:Python 29
SciML / ModelingToolkitCourse
A course on composable system modeling, differential-algebraic equations, acausal modeling, compilers for simulation, and building digital twins of real-world devices
acausal aerospace-engineering chemical-engineering component-based-modeling dae julia mechanical-engineering modelica sciml
Language:Julia 29
jlolivaresp / Tesis
Data driven fault detection in chemical processes: Application to Tennessee Eastman Plant
fault-detection chemical-engineering chemical-process algorithms machine-learning knn-classification t-test f-test spanish thesis python matplotlib numpy automation
Language:Python 28
dejac001 / distillation
Modeling and Simulation of Multicomponent Distillation Columns
chemistry chemical-engineering chemicals engineering-tools engineering-design
Language:Jupyter Notebook 24
emelborp / Process-Identification-and-PID-Tuning-with-Deep-Learning
A program that can do Process Identification and PID Tuning by using Deep Learning designed for people studying and researching chemical engineering.
chemical-engineering process-identifier pid-tuning deep-learning python tensorflow process-controller matlab
Language:Jupyter Notebook 23
CryPTSys / PharmaPy
A numerical platform for the digital design of pharmaceutical processes
chemical-engineering pharmaceutical-manufacturing process-systems-engineering
Language:Python 22
OpenChemE / Process-Dynamics-Engine
Process Dynamics Engine (PDE) is an online, real-time simulator for process control models described by transfer functions or state space representations.
chemical-engineering control signals process-control
Language:Python 22
anicusan / PyPinch
A lightweight Python module that applies Pinch Technology principles, analysing a given set of stream data to find the Maximum Energy Recovery (MER) target.
pinch-analysis pinch pinch-technology maximum-energy-recovery minimum-energy-requirement python python3 matplotlib temperature-interval-diagram problem-table heat-cascade pinch-point temperature-enthalpy-diagram grand-composite-curve chemical-engineering heat-integration
Language:Jupyter Notebook 21