PYTHON-BASED CALCULATION OF FOUR KEY THERMODYNAMIC PARAMETERS FOR EIGHT ALKANES

Abstract

In modern era, lower alkanes n-C_xH_2x+2 (where x ranges from 1 to 8) are vital fuels owing to their inertness and favorable combustion properties. Understanding the thermodynamic properties becomes crucial. This article presents Python code to calculate four key thermodynamic parameters for eight alkanes over a temperature range of 298 to 1498 kelvin. We have investigated the variation of heat capacity with temperature using temperature dependent C_p equation, visualized through C_p Vs T plots. These C_p values are then employed to determine changes in enthalpies using Kirchhoff’s equation. Using the third law of thermodynamics, entropy changes are also computed. To explore temperature-dependent variations, ΔH Vs T and ΔS Vs T graphs are plotted. Finally, Gibbs free energy changes (ΔG) are derived using ΔH and ΔS values and plotted against different temperatures, offering valuable insights into the thermodynamic behavior of lower alkanes.