2006
DOI: 10.1021/jp060729f
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Hydrophobic Hydration in an Orientational Lattice Model

Abstract: To shed light on the microscopic mechanism of hydrophobic hydration, we study a simplified lattice model for water solutions in which the orientational nature of hydrogen bonding as well as the degeneracy related to proton distribution are taken into account. Miscibility properties of the model are looked at for both polar (hydrogen bonding) and nonpolar (non-hydrogen bonding) solutes. A quasichemical solution for the pure system is reviewed and extended to include the different kinds of solute. A Monte Carlo … Show more

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Cited by 4 publications
(3 citation statements)
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“…The mean-field limit is that in which Z → ∞ and ǫ 11 → 0 with the product Zǫ 11 ≡ φ fixed. In this limit, from t in (1) and from (8),…”
Section: Mean-field and Low-temperature Limitsmentioning
confidence: 98%
See 1 more Smart Citation
“…The mean-field limit is that in which Z → ∞ and ǫ 11 → 0 with the product Zǫ 11 ≡ φ fixed. In this limit, from t in (1) and from (8),…”
Section: Mean-field and Low-temperature Limitsmentioning
confidence: 98%
“…We study this in a lattice model on a Bethe lattice (Cayley tree), for which the Bethe-Guggenheim "quasichemical" approximation [1,2] becomes exact. The Bethe-Guggenheim and related approximations have been used before for lattice models of water and hydrophobic solvation [3][4][5][6][7][8] and the approximation is used extensively in continuum models of solutions as well [9,10]. Models of water and aqueous solutions on other hierarchical lattices have also been extensively studied [11,12].…”
Section: Introductionmentioning
confidence: 99%
“…These rotor lattices are motivated by phase transitions of water where the geometric nature of neighbor interactions between molecules dictates their transition behavior and ordering in liquid and solid phases. 22 2D lattices of rotors should be simple to image and provide a 2D model system which could eventually inform the organization of 3D systems. Rotary elements can only form a finite number of bonds, which can give rise to behaviors such as termination and the formation of switchable shapes and patterns that can be toggled between their phases by modulating the interaction strength.…”
Section: Introductionmentioning
confidence: 99%