Dr. Paul Siders

UMD Swenson Col of Sci & Eng
UM Duluth
Project Title: 
Heat Capacity of Phosphorous Pentoxide

Phosphorous pentoxide is important as a common component of glass and as a reference material for formation enthalpy and free energy of phosphate minerals. These researchers calculate constant-volume and constant-pressure heat capacities of three polymorphs of solid phosphorous pentoxide at standard conditions and at above-ambient temperature. Heat capacity of the P4O10 molecular liquid phase will also be calculated. Carr-Parrinello molecular dynamics will be used as implemented in Quantum Espresso. Vibrational contributions to heat capacities will be included through the velocity autocorrelation function.

Project Investigators

Dr. Paul Siders
Are you a member of this group? Log in to see more information.