configurational entropy

A possible explanation, consistent with transition state theory, is given in terms of configurational entropy.

Thus where S c is the macroscopic configurational entropy for the ensemble.

Consequently, there is a large configurational entropy associated with the set of all polytetrahedral states.

Eventually the limit is reached where no further packing would be possible and where the configurational entropy therefore vanishes.

This entropy is similar in form to the configurational entropy associated with the mixing of atoms on a lattice.

A second approach used (most often in computer simulations, but also analytically) to determine the configurational entropy is the Widom insertion method.

Substances with extremely low configurational entropy, especially polymers, are likely to be immiscible in one another even in the liquid state.

A second form of electronic entropy can be attributed to the configurational entropy associated with localized electrons and holes.

This is because of the greater configurational entropy of the minima at the bottom of the icosahedral funnel (§2.4).

Along with high-temperature data obtained up to 2400 K, these measurements provide the basis for an expression of the temperature dependence of the configurational entropy.

The configurational entropy S conf is derived from the partition function describing the location of holes and polymer molecules.

This happens when the configurational entropy overcomes the Boltzmann factor which suppresses the thermal or heat generation of vortex lines.

DS itself can be separated into 2 components: Thermal entropy, Configurational entropy.

Yeh also coined the term "high-entropy alloy" when he attributed the high configurational entropy as the mechanism stabilizing the solid solution phase.

This aspect is considered in the G-D theory by defining a new transition temperature T 2 at which the configurational entropy of the system is zero.

At high temperatures the configurational entropy will be high and there will be many ways for molecules to be packed, with no one configuration preferred over another.

The mathematical field of combinatorics, and in particular the mathematics of combinations and permutations is highly important in the calculation of configurational entropy.

Another theory is that of Gibbs & di Marzio (1958), who apply a lattice model of a polymer to a statistical calculation of the configurational entropy.

Pauling went on to compute the configurational entropy in the following way: consider one mole of ice, consisting of N of O and 2N of protons.

By making the assumption that one orientation of a link in a chain relative to its neighbour is energetically preferred over all others they show that a temperature exists at which the configurational entropy vanishes, giving a true second-order transition at this point.

Based on an analysis of the observed crystal structures of the phases of anhydrous sodium pyrophosphate, a calculation of the configurational entropy change of the system between the ordered ambient-temperature phase and the disordered hexagonal phase above 600 °C has been carried out.

However, the theory does explain the variation of Tg found in copolymers and, in a later modification, by considering the temperature dependence of relaxation in terms of a "co-operative rearranging region" dependent upon the configurational entropy, a relation similar in form to the WLF equation was found and the prediction made that.