Quick Start Guide

This guide will get you up and running with sandlerprops in just a few minutes.

Basic Concepts

sandlerprops provides access to the pure-component properties database from Sandler’s Chemical, Biochemical, and Engineering Thermodynamics (5th edition). Data was extracted from the Microsoft Access Database that was packaged with its properties VisualBasic application.

The following pure-component properties are available:

  • Critical properties (Tc, Pc, Vc)

  • Acentric factor (ω)

  • Antoine coefficients for vapor pressure correlations

  • Heat capacity correlation coefficients

  • Heat of vaporization correlation coefficients

  • Elemental composition and molecular weight

  • Standard-state enthalpy and entropy of formation at 298.15 K and 1 bar

  • Dipole moment (select compounds only)

In the properties database, temperatures are in Kelvin (K), pressures are in bar, volumes are in cm³/mol, enthalpies are in J/mol, and entropies are in J/mol-K. All quantities with units are represented as pint.Quantity objects.

First Properties Look-up

Let’s look up the pure-component propertiesof methane:

From the Command Line

sandlerprops show methane

Output:

Properties of methane (index 116):
----------------------------------------
   No             : 116
   Formula        : CH4
   Name           : methane
   Molwt          : 16.043 g / mol
   Tfp            : 90.700 K
   Tb             : 111.600 K
   Tc             : 190.400 K
   Pc             : 46.000 bar
   Vc             : 99.200 m ** 3 / mol
   Zc             : 0.288
   Omega          : 0.011
   Dipm           : 0.000 D
   CpA            : 19.25
   CpB            : 0.05213
   CpC            : 1.197e-05
   CpD            : -1.132e-08
   dHf            : -74900.000 J / mol
   dGf            : -50870.000 J / mol
   Eq             : 1
   VpA            : -6.004
   VpB            : 1.119
   VpC            : -0.8341
   VpD            : -1.228
   Tmin           : 91.000 K
   Tmax           : 190.400 K
   Lden           : 0.425
   Tden           : 112.000 K

From Python

from sandlerprops import get_database

P = get_database()

result = P.get_compound("methane")
print(f"Critical temperature: {result.Tc}")
print(f"Critical pressure: {result.Pc}")
print(f"Acentric factor: {result.Omega}")
print(f"Molecular weight: {result.Molwt}")

Within the Python API, the Compound object returned by get_compound has attributes corresponding to all available pure-component properties, as well as the atomic composition of the compound.

# Accessing atomic composition
composition = result.atomdict
for element, count in composition.items():
    print(f"{element}: {count}")

Next Steps