Discrete Thermodynamics of Chemical Equilibria

TL;DR

This paper introduces Discrete Thermodynamics of Chemical Equilibria (DTD), a new framework that models chemical system deviations from equilibrium using logistic maps, revealing complex behaviors including bifurcations and chaos.

Contribution

It develops a novel theoretical approach linking classical thermodynamics with discrete models to analyze chemical equilibria and their complex dynamics.

Findings

Logistic map models chemical system deviations from equilibrium.

Bifurcation diagrams reveal transitions from equilibrium to chaos.

New insights into the dynamic behavior of chemical systems.

Abstract

The paper sets forth comprehensive basics of Discrete Thermodynamics of Chemical Equilibria (DTD), developed by the author during the last decade and spread over series of publications. Based on the linear equations of irreversible thermodynamics, De Donder's definition of the thermodynamic force, and the Le Chatelier principle, DTD brings forward a notion of chemical equilibrium as a balance of internal and external thermodynamic forces, acting against a chemical system. The basic expression of DTD is a logistic map that ties together energetic characteristics of the chemical transformation in the system, its deviation from true thermodynamic equilibrium, and the sum of thermodynamic forces, causing that deviation. System deviation from thermodynamic equilibrium is the major variable of the theory. Solutions to the basic map define the chemical system domain of states comprising bifurcation diagrams with four areas, from true thermodynamic equilibrium to chaos, having specific distinctive meaning for chemical systems. The theory is derived from the currently recognized ideas of chemical thermodynamics and binds classical and contemporary thermodynamics of chemical equilibria into a unique concept. DTD opens new opportunities in understanding and analysis of equilibria in chemical systems. Some new results, included in the paper, have never been published before.