Computational Combustion using Python and Cantera

0% EMI Option Available

Domain : Mechanical or Automotive Engineers

Pre-requisites : CFD, Combustion Simulations, Chemical Kinetics

Introduction

A Quick Overview


Cantera is an open-source suite of tools for problems involving chemical kinetics, thermodynamics, and transport processes. Computational combustion is a field of numerical modelling and simulations using advanced large‐scale parallel systems, and offers a new avenue to analyze and interpret the dynamics of acoustic‐flame‐vortex interactions that occur in most combustion systems. 

The course comes under the domain of mechanical and automotive engineering with CFD as a sub-domain. The Cantera library can be imported to MATLAB, Python, and C++. Python is the language of choice because it's widely used and can handle the operations better than MATLAB or C++. 

This course is useful for people who have a background in thermodynamics and programming and are interested in learning engines and combustion modelling in particular.

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COURSE SYLLABUS

In this module, you will learn about different fuel types, species nomenclature, and concepts such as:
  • Molecular weight
  • Moles
  • Density
  • Mass Fraction, Mole Fraction and PPM
  • Vapor pressure
  • Equation of state
  • Air fuel ratio
  • Equivalence ratio
This module covers the various properties of thermodynamics as well as combustion which is very useful in modelling the combustion. The relation between various properties helps you make the right decision and the results are compared with the numerical data of those properties. The module also covers the units of the above entities and their significance. 

This module provides the opportunity to refresh your basics in thermodynamics and learn several intermediary concepts such as:

  • Enthalpy of Reaction
  • Adiabatic Flame Temperature
  • Lower and Higher Heating values

This module will cover concepts that are helpful to understand the derived properties of chemical kinetics, and help understand the rate of reactions, and their impact on reactor systems. 

The above parameters can be a good starting point for optimizing the reactor system. The theoretical calculation of the above parameters will help you to understand the practicality of the system we are designing.

Equilibrium chemistry models are very commonly used to construct simplified combustion models. In this module you will learn the following:

  • Full Equilibrium
  • Water Gas Equilibrium
  • Pressure effects
  • Understanding NASA thermodynamic data files

This module will teach the difference between homogeneous and heterogeneous equilibrium. Understanding the equilibrium will allow you to understand if a chemical reaction is at equilibrium and the direction the chemical reaction must proceed to attain equilibrium. 

It helps you to understand the new equilibrium attained when a change in concentration of either a reactant or a product is made to a system initially at equilibrium. In addition, this module will also teach you to read NASA or any other standard data which is helpful for designing the reactor system. 

This module will introduce to chemical kinetics and you will learn the following topics:

  • Global and elementary reactions
  • Rate of a reaction
  • Forward rate and backward rate
  • CHEMKIN formatted mechanism file

In this module, we define the reaction rate and a few associated terms, and introduce the simplest type of chemical reaction which is single-step reactions known as elementary reactions. We investigate the various factors that determine the rate of an elementary reaction, which allows you to calculate rate constants and explain their temperature dependence

In this module you will learn Python - an extremely popular programming language. You will learn Python by writing programs related to chemical kinetics. Once you are in a position to write simple programs in Python, we will introduce you to Cantera. With Cantera you will be able to simulate different types of combustion systems. Cantera is an extremely popular tool that is being used in several universities and organizations for research and industrial purposes.

Ignition delay is the time lag between the start of injection to start of the combustion when the air-fuel mixture is ignited. It is one of the major factors that help in determining the performance of a diesel engine. In this module, we will teach you to build several zero-dimensional reactors. These types of simulations will be used to predict the ignition delay and flame speeds of popular fuels.

  • The objective of the module is to study the dependence of ignition delay time on: 
  • Cylinder ambient gas temperature 
  • Cylinder ambient gas pressure
  • Injection pressure 
  • Injector nozzle orifice diameter

While designing combustion systems, the flame speed plays an important role in determining their performance. In this module, you will learn how to calculate flame speeds. Note that this parameter depends upon the type of reaction mechanism that is being employed and the thermodynamic conditions in the combustion chamber. You will also perform a sensitivity analysis that helps you determine which of the elementary reactions are going to affect the flame speed the most.


In this module you will learn the following topics:

  • Perfectly stirred reactor
  • Steady-state combustion and its relevance for gas turbine applications
  • Extinction and blow off limits
  • Premixed, diffusion and partially premixed flames

In this module you will be trained in the core concepts that are used while simulating combustion in complex 3D geometry. Here you will learn about the current trends in cutting edge tools that are used in the industries.


Projects Overview

Adiabatic Flame Temperature Calculation

The adiabatic flame temperature for a given fuel-oxidizer combination is determined by finding the final state temperature (i.e. the adiabatic flame temperature) for which the sum of the enthalpies of the reactants equals the sum of the enthalpies of the products. The calculation of thermal efficiency becomes easy once we know the AFT. The efficiency further allows you to improvise the reactor system. 

Combustion Efficiency Calculation after Preheating

A recuperator is a heat exchanger in which energy from the exhaust of hot combustion products, i.e flue gases, is transferred to the inlet air for increasing its temperature. The effect of such preheating of air can be seen in improving combustion efficiency as well as Adiabatic Flame Temperature. This analysis is performed to effectively utilize the exhaust gas recirculation and increase the efficiency of the reactor. 

Solving STIFF ODE System by using Backward Differencing and a Multivariate Newton-Rhapson Solver

In this project, you will be solving a STIFF ODE system from scratch. This helps you understand how reacting systems are solved.
The Newton-Raphson method (also known as Newton's method) is a way to quickly find a good approximation for the root of a real-valued function f(x)=0. It uses the idea that a continuous and differentiable function can be approximated by a straight line tangent to it. This numerical method is effective for stiff ODEs. 

Auto Ignition

In this project, you will be exposed to the Cantera reactor network and its uses in solving various models. The reactor network allows you to calculate the expansion/compression work, heat transfer, mass transfer, and surface interaction with the environment. The auto-ignition gives the time required for combustion to take place and controlling it can be beneficial for controlling pollutants as well as for complete combustion.

Sensitivity Analysis

The correct description of chemical changes requires the application of reaction mechanisms consisting of several hundred or thousand reactions. This means that the chemistry of the combustion process is described by a huge number of parameters and hence the application of the sensitivity analysis techniques is very useful for its understanding of those parameters. 

Detailed chemical models are too big for many practical combustion simulations. Sensitivity analysis can be used for mechanism reduction, that is, finding a smaller model that produces similar predictions for some of the variables (i.e., species concentrations and temperature).


One Dimensional Flame Speed Analysis

The flame speed is the measured rate of expansion of the flame front in the combustion reaction. The flame speed of fuel is a property that determines its ability to undergo controlled combustion without detonation. This project is the study of flame speed by considering the effect of temperature, pressure and concentration on it.

Reaction Reduction Mechanism

This detailed mechanism for methane-air combustion(GRI3.0) is probably the most famous one. It comprises 325 reactions and 53 species. The reduced mechanisms include only the top reactions and the associated species. The reduced mechanisms with a certain number of species are able to adequately simulate the ignition delay, sensitivity  problem. Such a reduced mechanism saves a lot of computational resources as well as time. 

WHO IS THIS COURSE FOR ?

  • The course is suitable for students who have a background in thermodynamics and chemistry. Students in the 3rd year of engineering can also take this course to understand how computational combustion works.
  • The organizations that work in this domain will recruit students for the positions of research engineers or CFD engineers.
  • Students who are interested in an academic position like that of a research assistantship or research associate can also take this course.

SOFTWARE COVERED

Python

Python is an interpreted, high-level, general-purpose programming language. It supports multiple programming paradigms, including structured (particularly, procedural), object-oriented, and functional programming. Python is often described as a "batteries included" language due to its comprehensive standard library.

Cantera

Cantera is an open-source suite of tools for problems involving chemical kinetics, thermodynamics, and transport processes. Cantera utilizes object-oriented concepts for robust yet flexible phase models, and algorithms are generalized so that users can explore different phase models with minimal changes to their overall code.
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Certification : Available Course completion & merit (top 5%) certificates that can be linked to your online profile to build your professional portfolio.

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Access Duration : Lifetime Duration for which your course videos, challenges and projects will be made available from the time of enrollment.

Mode of Delivery : Online Lessons are administered by expert instructors with pre-recorded videos of lesson plans.

Project Portfolio : Available An exclusive project portfolio page to showcase your various projects and certifications that can be linked to your online resume and job profiles.

Certification : Available Course completion & merit (top 5%) certificates that can be linked to your online profile to build your professional portfolio.

Individual Video Support : 12/month One-on-One zoom support sessions to discuss study plan, progress and to have your queries & doubts answered.

Group Video Support : 12/month Group zoom support sessions to discuss study plan, progress and to have your queries & doubts answered.

Email Support : Available Queries & doubts answered via email by our technical support engineers.

Whatsapp Support : Available Access to course-specific Whatsapp Group to connect with peers and have queries & doubts answered by our technical support engineers.

Telephone Support : Available Queries & doubts answered via telephone by our technical support engineers.

Add-ons Industry Projects : 2 Industry-oriented projects to help you upskill and bolster your resume

Dedicated Support Engineer : Available Personalized and exclusive hands-on support from an expert engineer assigned to answer your queries & doubts and support your course progress.

Basic

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$93.37

per month for 3 months

Access Duration : 2 months Duration for which your course videos, challenges and projects will be made available from the time of enrollment.

Mode of Delivery : Online Lessons are administered by expert instructors with pre-recorded videos of lesson plans.

Project Portfolio : Available An exclusive project portfolio page to showcase your various projects and certifications that can be linked to your online resume and job profiles.

Certification : Available Course completion & merit (top 5%) certificates that can be linked to your online profile to build your professional portfolio.

Email Support : Available Queries & doubts answered via email by our technical support engineers.

Whatsapp Support : Available Access to course-specific Whatsapp Group to connect with peers and have queries & doubts answered by our technical support engineers.

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per month for 3 months

Access Duration : 4 months Duration for which your course videos, challenges and projects will be made available from the time of enrollment.

Mode of Delivery : Online Lessons are administered by expert instructors with pre-recorded videos of lesson plans.

Project Portfolio : Available An exclusive project portfolio page to showcase your various projects and certifications that can be linked to your online resume and job profiles.

Certification : Available Course completion & merit (top 5%) certificates that can be linked to your online profile to build your professional portfolio.

Individual Video Support : 4/month One-on-One zoom support sessions to discuss study plan, progress and to have your queries & doubts answered.

Group Video Support : 4/month Group zoom support sessions to discuss study plan, progress and to have your queries & doubts answered.

Email Support : Available Queries & doubts answered via email by our technical support engineers.

Whatsapp Support : Available Access to course-specific Whatsapp Group to connect with peers and have queries & doubts answered by our technical support engineers.

Telephone Support : Available Queries & doubts answered via telephone by our technical support engineers.

Add-ons Industry Projects : 1 Industry-oriented projects to help you upskill and bolster your resume

Premium

Lifetime Access

$200.09

per month for 3 months

Access Duration : Lifetime Duration for which your course videos, challenges and projects will be made available from the time of enrollment.

Mode of Delivery : Online Lessons are administered by expert instructors with pre-recorded videos of lesson plans.

Project Portfolio : Available An exclusive project portfolio page to showcase your various projects and certifications that can be linked to your online resume and job profiles.

Certification : Available Course completion & merit (top 5%) certificates that can be linked to your online profile to build your professional portfolio.

Individual Video Support : 12/month One-on-One zoom support sessions to discuss study plan, progress and to have your queries & doubts answered.

Group Video Support : 12/month Group zoom support sessions to discuss study plan, progress and to have your queries & doubts answered.

Email Support : Available Queries & doubts answered via email by our technical support engineers.

Whatsapp Support : Available Access to course-specific Whatsapp Group to connect with peers and have queries & doubts answered by our technical support engineers.

Telephone Support : Available Queries & doubts answered via telephone by our technical support engineers.

Add-ons Industry Projects : 2 Industry-oriented projects to help you upskill and bolster your resume

Dedicated Support Engineer : Available Personalized and exclusive hands-on support from an expert engineer assigned to answer your queries & doubts and support your course progress.

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Python and Cantera are open source libraries.

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