Gibbs hull

Note that if in Eq, (2,76) one replaces the entropy S E) by its Gibbs hull in the transition regime. 

By means of generalized-ensemble computer simulations, an accurate estimate of the density of states g E) can be obtained. For this particular heteropolymer, it turns out that the entropy S E) exhibits a convex region, i.e., a double-tangent with two touching points, at Efoid and E nf > can be constructed. This so-called Gibbs hull is then parametrized... 

The difference of the microcanonical surface entropies in the transition regime defines the surface entropy. In the case of the aggregation transition, it is given by the maximum separation between the Gibbs hull and the entropy curve as shown in Fig. 11.5 HsiEsep) — S Esep), where HsiE)f HsiE) is the concave Gibbs hull... 

Knowing the behavior of adsCe) and i desCe), we can estimate Tads by performing a Gibbs construction. In the adsorption phase, the contact point of the Gibbs hull is independent of Lz, i (eads) = + S °" (eads). where / H(eads) is the translational entropy... 

Catti M, Ferraris G, Hull S, Pavese A (1995) Phys Chem Miner 22 200 Greaves C, Thomas MA (1986) Acta Cryst B 42 51 Peterson RC, Hih RJ, Gibbs GV (1979) Canad Mineral 17 703 Brindley GW, Kao CC (1984) Phys Chem Miner 10 187... 

---