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Hydrogen (or other pure gas phase species) depressurization calculations

License: MIT License

Python 90.92% TeX 9.08%
heat-transfer coolprop pressure gas-phase relief-valve blow-down depressurisation python thermodynamics

hyddown's Introduction

DOI license buil codecov Streamlit App CodeQL status

HydDown

Hydrogen (or other pure gas phase species as well as mixtures) depressurization/pressurisation calculations incorporating heat transfer effetcs. It also models vessel response (pressure/temperature) to external heat loads e.g. external fire (pool/jet) incorporating the Stefan-Boltzmann approach.

This code is published under an MIT license.

Install as simple as:

pip install hyddown

In the case of an error in installing relation to python2, for example:

DEPRECATION: Python 2.7 reached the end of its life on January 1st, 2020. Please upgrade your Python as Python 2.7 is no longer maintained. pip 21.0 will drop support for Python 2.7 in January 2021. More details about Python 2 support in pip can be found at https://pip.pypa.io/en/latest/development/release-process/#python-2-support pip 21.0 will remove support for this functionality.
Defaulting to user installation because normal site-packages is not writeable
ERROR: Could not find a version that satisfies the requirement hyddown (from versions: none)
ERROR: No matching distribution found for hyddown

please instead install with

python3 -m pip install hyddown

or try

pip3 install hyddown

Run the code as simple as:

python main.py input.yml

where main.py is the main script and input.yml is the input file in Yaml syntax.

Consult the manual for a more rigorous explanation of the software, the implemented methods, and its usage. Further, the manual also contains a few validation studies.

Demonstration

The easiest way to explore the capability of HydDown is the streamlit app. This version allows calculation of:

  • filling of vessel with gas (pressurisation)
  • discharge of gas (depressurisation)
  • various gases (H2, N2, CH4, He, Air)
  • variable size pressure cylinder/vessel
  • heat transfer between gas and vessel wall can be turned on/off

Background

This is a small spare time project for calculation of vessel filling/depressurisation behaviour. This is mainly to demonstrate, that although perceived as a very tedious/difficult/complex problem to solve, actually a fairly limited amount of code is necessary if you have a good thermodynamic backend.

A few choices is made to keep things simple to begin with:

  • Coolprop is used as thermodynamic backend
  • Mainly pure substances are considered (mixtures can be handled - but calculations can be slow)
  • Gas phase only
  • No temperture stratification in the gas phase
  • No temperture gradient through vessel wall

The code is as simple as possible. The above choices makes the problem a lot more simple to solve, First of all the pure substance Helmholtz energy based equation of state (HEOS) in coolprop offers a lot of convenience in terms of the property pairs/state variables that can be set independently. Using only a single gas phase species also means that component balances is redundant and 2 or 3-phase flash calculations are not required. That being said the principle used for a single component is more or less the same, even for multicomponent mixtures with potentially more than one phase.

Description

The following methods are implemented:

  • Isothermal i.e. constant temperature of the fluid during depressurisation (for a very slow process with a large heat reservoir)
  • Isenthalpic/Adiabatic (no heat transfer with surroundings, no work performed by the expanding fluid)
  • Isentropic (no heat transfer with surroundings, PV work performed by the expanding fluid)
  • Constant internal energy
  • Energy balance. This is the most general case and includes the ability to transfer heat with surroundings

Various mass flow equations are enabled:

  • Orifice
  • Control valve
  • Relief valve (discharge only)
  • Constant mass flow

A simple (naive) explicit Euler scheme is implemented to integrate the mass balance over time, with the mass rate being calculated from an orifice/valve equation. For each step, the mass relief/ left in the vessel is known. Since the volume is fixed the mass density is directly given. For the simple methods (isentropic,isenthalpic,isenergetic etc), Coolprop allows specifying density and either H,S or U directly - this is very handy and normally only TP, PH, TS property pairs are implemented, and you would need to code a second loop to make it into am UV, VH or SV calculation. Coolprop is very convenient for this, however for a cubic EOS and for multicomponent Helmholtz energy EOS coolprop only supports a subset of state variables to be specified directly (T,P,quality). For this reason single component HEOS is the main target of this small project. In case the "Energy balance" method is applied, the heat added from convection and work is accounted for.

Basic usage

The Yaml input file is edited to reflect the system of interest. For isothermal/isenthalpic/isentropic/isenergetic calculations the minimal input required are:

  • Initial conditions (pressure, temperature)
  • vessel dimensions (ID/length)
  • valve parameters (Cd, diameter, backpressure)
  • Calculation setup (time step, end time)
  • Type of gas

If heat transfer is to be considered the calculation type "energybalance" is required. A few options are possible:

  • Fixed U (U-value required, and ambient temperature)
  • Fixed Q (Q to be applied to the fluid is requried)
  • Specified h, the external heat transfer coefficient is provided and either the internal is provided or calculated from assumption of natural convection from a vertical cylinder at high Gr number. Ambient temperature is required.
  • Detailed
  • Fire with heat load calculated from the Stefan-Boltzmann equation

hyddown's People

Contributors

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hyddown's Issues

On ARM64 Android with Termux

YOu need to install following three necessary for pyarrow or the install fails

pkg i libarrow-cpp libarrow-python libre2

Contributing, reporting, and support

For review openjournals/joss-reviews#3695 :

Other than the default github features (author identification, issue tracker, pull requests), there is no explicit mention in the README or elsewhere as to how one contributes to the software, reports, bugs (and requests enhancements) or asks for support.
Given the nature of the github interface, I do not think this is strictly required, but it would be beneficial to add text on this to the README file

Usage and examples

While the manual provides additional information about where to find various main programs, some clarification in the README and comments in the code are strongly needed to make the software more intuitive
(Don't do anything yet, I am still working on the manual)

Error when running example `input.yml`

Running the input.yml at the root directory with the main.py script fails with the traceback:

{'calculation': [{'eta': ['unknown field']}]}
Traceback (most recent call last):
  File "main.py", line 21, in <module>
    hdown=HydDown(input)
  File "/Users/brandon/Projects/hyddown-rev/HydDown/src/hyddown/hdclass.py", line 31, in __init__
    self.validate_input()
  File "/Users/brandon/Projects/hyddown-rev/HydDown/src/hyddown/hdclass.py", line 47, in validate_input
    raise ValueError("Error in input file")
ValueError: Error in input file

Steps to reproduce:

  1. Clone the HydDown repository
  2. cd hyddown
  3. pip install .
  4. python src/main.py input.yml

Installation instructions do not include instructions to install dependencies

The installation instructions in the README say to pip install hyddown, but the runtime dependencies are not included.

I was able to find the requirements.txt and install them manually, but I would suggest either setting up the distribution so pip can install the dependencies automatically, or include installing the dependencies in the installation instructions.

Installations instructions are either incorrect or not generic

For review openjournals/joss-reviews#3695 :

I am running a fully updated Fedora 34 system with Python 3.9 (Python 2 deprecated).

I am unable to use pip to install the hyddown package per the instructions:

$ pip install hyddown
DEPRECATION: Python 2.7 reached the end of its life on January 1st, 2020. Please upgrade your Python as Python 2.7 is no longer maintained. pip 21.0 will drop support for Python 2.7 in January 2021. More details about Python 2 support in pip can be found at https://pip.pypa.io/en/latest/development/release-process/#python-2-support pip 21.0 will remove support for this functionality.
Defaulting to user installation because normal site-packages is not writeable
ERROR: Could not find a version that satisfies the requirement hyddown (from versions: none)
ERROR: No matching distribution found for hyddown
$ pip install hyddown --user
DEPRECATION: Python 2.7 reached the end of its life on January 1st, 2020. Please upgrade your Python as Python 2.7 is no longer maintained. pip 21.0 will drop support for Python 2.7 in January 2021. More details about Python 2 support in pip can be found at https://pip.pypa.io/en/latest/development/release-process/#python-2-support pip 21.0 will remove support for this functionality.
ERROR: Could not find a version that satisfies the requirement hyddown (from versions: none)
ERROR: No matching distribution found for hyddown

Incomplete run of the program

Hello,

when I run the program, it does not complete the execution. You can see 1999/2000 in the console, but I do not know exactly what it means. See the image. Therefore I cannot extract values from it and use it how I wish. Any idea on how to solve this problem?

Captura de Pantalla 2023-01-19 a las 10 31 01

Documentation/instructions for running tests

I was able to run pytest from the main repo and run 33 tests in src/hyddown/test_all.py, however there were no instructions for running these and I'm not sure if I'm testing everything that was intended to be tested. The documentation could use a short statement on the correct procedure for running the automated tests.

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