WIn thermodynamics and solid state physics, the Debye model is a method developed by Peter Debye in 1912 for estimating the phonon contribution to the specific heat in a solid. It treats the vibrations of the atomic lattice (heat) as phonons in a box, in contrast to the Einstein model, which treats the solid as many individual, non-interacting quantum harmonic oscillators. The Debye model correctly predicts the low temperature dependence of the heat capacity, which is proportional to – the Debye T3 law. Just like the Einstein model, it also recovers the Dulong–Petit law at high temperatures. But due to simplifying assumptions, its accuracy suffers at intermediate temperatures.
WIn physics and thermodynamics, an equation of state is a thermodynamic equation relating state variables which describe the state of matter under a given set of physical conditions, such as pressure, volume, temperature (PVT), or internal energy. Equations of state are useful in describing the properties of fluids, mixtures of fluids, solids, and the interior of stars.
WIn thermodynamic theory, the Klincewicz method is a predictive method based both on group contributions and on a correlation with some basic molecular properties. The method estimates the critical temperature, the critical pressure, and the critical volume of pure components.
WThe non-random two-liquid model is an activity coefficient model that correlates the activity coefficients of a compound with its mole fractions in the liquid phase concerned. It is frequently applied in the field of chemical engineering to calculate phase equilibria. The concept of NRTL is based on the hypothesis of Wilson that the local concentration around a molecule is different from the bulk concentration. This difference is due to a difference between the interaction energy of the central molecule with the molecules of its own kind and that with the molecules of the other kind . The energy difference also introduces a non-randomness at the local molecular level. The NRTL model belongs to the so-called local-composition models. Other models of this type are the Wilson model, the UNIQUAC model, and the group contribution model UNIFAC. These local-composition models are not thermodynamically consistent for a one-fluid model for a real mixture due to the assumption that the local composition around molecule i is independent of the local composition around molecule j. This assumption is not true, as was shown by Flemr in 1976. However, they are consistent if a hypothetical two-liquid model is used.
WThe UNIFAC method is a semi-empirical system for the prediction of non-electrolyte activity in non-ideal mixtures. UNIFAC uses the functional groups present on the molecules that make up the liquid mixture to calculate activity coefficients. By using interactions for each of the functional groups present on the molecules, as well as some binary interaction coefficients, the activity of each of the solutions can be calculated. This information can be used to obtain information on liquid equilibria, which is useful in many thermodynamic calculations, such as chemical reactor design, and distillation calculations.
WThe UNIFAC Consortium has been founded at the Carl von Ossietzky University of Oldenburg at the chair of industrial chemistry of Prof. Gmehling to invite private companies to support the further development of the group contribution methods UNIFAC and its successor modified UNIFAC (Dortmund). Both models are used for the prediction of thermodynamic properties, especially the estimation of phase equilibria.
WUNIQUAC is an activity coefficient model used in description of phase equilibria. The model is a so-called lattice model and has been derived from a first order approximation of interacting molecule surfaces in statistical thermodynamics. The model is however not fully thermodynamically consistent due to its two liquid mixture approach. In this approach the local concentration around one central molecule is assumed to be independent from the local composition around another type of molecule.