Wyniki wyszukiwania - BazTech

Ograniczanie wyników

1 Wiadomości Chemiczne

1 1998

Powiadomienia systemowe

Sesja wygasła!
Sesja wygasła!
Sesja wygasła!

Znaleziono wyników: 1

Liczba wyników na stronie

Wyniki wyszukiwania

Wyszukiwano:
w słowach kluczowych: model water structure

Sortuj według:

Ogranicz wyniki do:

Struktura ciekłej wody. Cz.1. Modele struktury wody

Dutkiewicz E., Jakubowska A.

Wiadomości Chemiczne

1998

[Z] 52, 11-12

773--786

Without doubt, water is the most studied system in chemistry. Despite this fact, water is still far from being satisfactorily described on the molecular level and continues to fascinate new generations of chemists. This situation reflects the difficulty of providing a structural description that accounts for the dynamic behaviour of the H-bonding ability of water, i.e., the ability of water molecules to from different structures. The aim of this work was to present different models describing: 1) a water molecule; 2) hydrogen-bond networks; 3) the water structure. The first model of a water molecule was created by Bjerrum. Various modifications of this model were proposed later. Water models proposed by Ben-Naim and Stillinger (BNS model) and Stillinger-Rahman (ST2 model)are typical ones among the four-point charge models. The model proposed by Rowlinson is a modified four-point charge model. Matsuoka-Clementi-Yoshimine's model is a three-point charge model of the water molecule. Jorgensen's model is also described in this work. Besides these rigid models of a water molecule, flexible models have also been introduced. Typical ones are the central force (CF) model and its modifications proposed by Bopp-Jancsó-Heinzinger (BJH). We present also different models describing hydrogen-bond networks: model based on polygons, bond percolation models and lattice models (square water, simplified square water, brick water). Models describing the water structure may be divided into two main classes: mixture models (a fluid composed of molecular clusters of various sizes) and continuum models. Continuum models are not sufficient to explain the unusual behaviour of H2O and D2O. Water can also appear to be a macroscopic, space-filling gel-like network. This structural picture of water combines ideas of continuum models with ideas of mixture models.