Two sets of fluctuation-explicit operational definitions for partial molar enthalpies, energies and volumes are derived. The equations are valid for multicomponent and binary mixtures, respectively, and allow the calculation of partial molar volumes, energies, and enthalpies through both deterministic and stochastic computer simulations.
All Science Journal Classification (ASJC) codes
- Physical and Theoretical Chemistry
- Condensed Matter Physics
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces