Related Experiment Video
Updated: May 6, 2026
06:35
Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
7.5K
Many-body contributions to polymorphism and polyhexaticity in a water monolayer
Oriol Vilanova1,2, Giancarlo Franzese1,2
1Física Estadística i Interdisciplinària-Departament de Física de la Matèria Condensada, Facultat de Física, Universitat de Barcelona, Martí i Franquès 1, Barcelona 08028, Spain.
The Journal of Chemical Physics
|May 4, 2026
Summary
Hydrogen bond cooperativity in confined water influences its phase behavior. Many-body interactions (MBIs) are key to understanding transitions between solid, hexatic, and liquid states in nanoconfined water.
Area of Science:
- Thermodynamics and statistical mechanics of confined systems.
- Interfacial science and soft matter physics.
Background:
- Nanoconfined water is vital for nanofluidics, biology, and technology.
- The hexatic phase, an intermediate between solid and liquid, is crucial for melting confined water.
- The role of hydrogen bond (HB) cooperativity in confined water's phase behavior is not well understood.
Purpose of the Study:
- To investigate the influence of hydrogen bond (HB) cooperativity on the phase behavior of nanoconfined water.
- To extend the Franzese-Stanley water model to explicitly include many-body interactions (MBIs) of HBs.
- To differentiate the contributions of three-body and five-body HB-MBIs.
Main Methods:
- Monte Carlo simulations in the isobaric-isothermal ensemble.
- Development and application of an extended water model incorporating many-body hydrogen bond interactions.
- Analysis of pressure-temperature phase diagrams.
Main Results:
- Detailed phase diagrams reveal polymorphism and polyhexaticity, with distinct hexatic phases separating ice polymorphs from the liquid.
- Three-body HB-MBIs promote crystallization and destabilize the low-density hexatic phase.
- Five-body HB-MBIs help restore the low-density hexatic phase, modifying the thermodynamic landscape.
Conclusions:
- Hydrogen bond many-body interactions (MBIs) are fundamental to the phase behavior of confined water.
- HB-MBIs influence phenomena like non-monotonic specific heat and maximum-density lines.
- Understanding these interactions is critical for applications in nanofluidics, interfacial science, biology, and pharmaceutics.
Related Concept Videos
01:10Polymers: Molecular Weight Distribution
4.0K
For any given polymer, the weight average molecular weight (Mw) is higher than, if not equal to, the number average molecular weight (Mn). The only situation in which the weight average molecular weight and the number average molecular weight are equal is when a polymer consists only of chains with equal molecular weight. However, this never happens in a synthetic polymer, since it is difficult to control the polymerization process up to a molecular level with accuracy to a hundred percent.
4.0K
01:21Factors Affecting Dissolution: Polymorphism, Amorphism and Pseudopolymorphism
887
Polymorphism refers to the existence of a drug substance in multiple crystalline forms, known as polymorphs. Recently, this term has been expanded to include solvates (forms containing a solvent), amorphous forms (non-crystalline forms), and desolvated solvates (forms from which the solvent has been removed).
Some polymorphic crystals possess lower aqueous solubility than their amorphous counterparts, leading to incomplete absorption. For instance, the oral suspension of Chloramphenicol, which...
Some polymorphic crystals possess lower aqueous solubility than their amorphous counterparts, leading to incomplete absorption. For instance, the oral suspension of Chloramphenicol, which...
887
01:00Characteristics and Nomenclature of Homopolymers
3.1K
Polymers that are made up of identical monomer units are called homopolymers. Only one repeating unit is involved in the construction of the homopolymer structure. For example, as depicted in Figure 1, polypropylene is a homopolymer constituted of propylene monomers. Here, the only repeating unit in the polymer chain is propylene.
3.1K
02:35Noncovalent Attractions in Biomolecules
28.0K
Noncovalent attractions are associations within and between molecules that influence the shape and structural stability of complexes. These interactions differ from covalent bonding in that they do not involve sharing of electrons.
Four types of noncovalent interactions are hydrogen bonds, van der Waals forces, ionic bonds, and hydrophobic interactions.
Hydrogen bonding results from the electrostatic attraction of a hydrogen atom covalently bonded to a strong-electronegative atom like oxygen,...
Four types of noncovalent interactions are hydrogen bonds, van der Waals forces, ionic bonds, and hydrophobic interactions.
Hydrogen bonding results from the electrostatic attraction of a hydrogen atom covalently bonded to a strong-electronegative atom like oxygen,...
28.0K
02:35Noncovalent Attractions in Biomolecules
19.9K
19.9K
03:13Intermolecular Forces
63.1K
Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
63.1K