Partitioning Entropy with Action Mechanics: Predicting Chemical Reaction Rates and Gaseous Equilibria of Reactions of Hydrogen from Molecular Properties.

ABSTRACT: Our intention is to provide easy methods for estimating entropy and chemical potentials for gas phase reactions. Clausius' virial theorem set a basis for relating kinetic energy in a body of independent material particles to its potential energy, pointing to their complementary role with respect to the second law of maximum entropy. Based on this partitioning of thermal energy as sensible heat and also as a latent heat or field potential energy, in action mechanics we express the entropy of ideal gases as a capacity factor for enthalpy plus the configurational work to sustain the relative translational, rotational, and vibrational action. This yields algorithms for estimating chemical reaction rates and positions of equilibrium. All properties of state including entropy, work potential as

SUBMITTER: Kennedy IR 

PROVIDER: S-EPMC8392617 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature