PyThermoDB 1.4.1

PyThermoDB is a lightweight and user-friendly Python package designed to provide quick access to essential thermodynamic data.

PyThermoDB

Python Thermodynamics Databook

PyThermoDB is a lightweight and user-friendly Python package designed to provide quick access to essential thermodynamic data. Whether you're a student, researcher, or engineer, this package serves as a valuable resource for retrieving thermodynamic properties, equations, and constants from your custom thermodynamic database (csv files).

Key Features:

• Handbook Data: The package sources its data from well-established thermodynamics handbooks, ensuring accuracy and reliability (updated regularly).

• Custom Thermodynamic Database: It is possible to builtin your own thermodynamic databook for your project.

• Minimal Dependencies: Built with simplicity in mind, the package has minimal external dependencies, making it easy to integrate into your projects.

• Open Source: Feel free to explore, contribute, and customize the package according to your needs.

Google Colab

You can use the following code to run PyThermoDB in Google Colab:

Installation

Install PyThermoDB with pip

import pyThermoDB as ptdb

# check version

print(ptdb.__version__)

Usage Example

• databook reference initialization:

# ===============================

# databook reference initialization

# ===============================

tdb = ptdb.init()

• list databooks:

# ===============================

# DATABOOK LIST

# ===============================

# databook

db_list = tdb.list_databooks()

print(db_list)

• list tables:

# ===============================

# TABLE LIST

# ===============================

# table list

tb_lists = tdb.list_tables(1)

print(tb_lists)

• Display table info:

# ===============================

# TABLE INFO

# ===============================

# display a table

tb_info = tdb.table_info(1, 2)

print(tb_info)

• Load an equation (before building):

# ===============================

# LOAD TABLES

# ===============================

# load equation to check

vapor_pressure_tb = tdb.equation_load(1, 4)

pp(vapor_pressure_tb.eq_structure(1))

# load data to check

data_table = tdb.data_load(1, 2)

pp(data_table.data_structure())

• Check component availability:

# ====================================

# CHECK COMPONENT AVAILABILITY IN A TABLE

# ====================================

# check component availability in the databook and table

comp1 = "carbon Dioxide"

# CO2_check_availability = tdb.check_component(comp1, 1, 2)



# load comp data

# comp_data = tdb.get_component_data(comp1, 1, 2, dataframe=True)

# pp(comp_data)

• Build data object:

# ====================================

# BUILD DATA

# ====================================

# build data

CO2_data = tdb.build_data(comp1, 1, 2)

pp(CO2_data.data_structure())

pp(CO2_data.get_property(4))

• Build an equation object:

# ====================================

# BUILD EQUATION

# ====================================

# build an equation

eq = tdb.build_equation(comp1, 1, 4)

pp(eq.args)

res = eq.cal(T=298.15)

pp(res*1e-5)

Build ThermoDB for Components

DataTable & EquationTable saved as an object in Carbon Dioxide.pkl

# ====================================

# BUILD THERMODB

# ====================================

# build a thermodb

thermo_db = ptdb.build_thermodb()

pp(type(thermo_db))



# * add TableData

thermo_db.add_data('general', comp1_data)

# * add TableEquation

thermo_db.add_data('heat-capacity', comp1_eq)

thermo_db.add_data('vapor-pressure', vapor_pressure_eq)

# add string

# thermo_db.add_data('dHf', {'dHf_IG': 152})

# file name

# thermodb_file_path = os.path.join(os.getcwd(), f'{comp1}')

# save

thermo_db.save(

    f'{comp1}', file_path='E:\\Python Projects\\pyThermoDB\\tests')



# ====================================

# CHECK THERMODB

# ====================================

# check all properties and functions registered

pp(thermo_db.check_properties())

pp(thermo_db.check_functions())

Load a ThermoDB

Carbon Dioxide.pkl can be loaded as:

# ====================================

# LOAD THERMODB

# ====================================

# ref

thermodb_file = 'Carbon Dioxide.pkl'

thermodb_path = os.path.join(os.getcwd(), thermodb_file)

pp(thermodb_path)



# ====================================

# LOAD THERMODB

# ====================================

# load thermodb

CO2_thermodb = ptdb.load_thermodb(thermodb_path)

pp(type(CO2_thermodb))



# ====================================

# CHECK THERMODB

# ====================================

# check all properties and functions registered

pp(CO2_thermodb.check())

FAQ

For any question, contact me on LinkedIn

Authors

• @sinagilassi