Condensed Phase#


Introduction

Intro paragraph

Plan


  • Summary

Notes

Introduction#

Water in the condensed phase#

» Phase diagram

The earth is the only planet of our solar system that can sustain water in it’s three physical states (solid, liquid, gas).

Liquid

  • supercooled liquid water
  • High density vs low density liquid
    • Scihub link - Structure and phase diagram of high-density water: The role of interstitial molecules - Molecular dynamics paper but interesting
../../_images/Phase_diagram_of_water.svg

Fig. 4 Explain: source MC#

../../_images/Phase_diagram_2.PNG

Fig. 5 Explain: source MC#

Phase diagram 2 source

Infrared Investigation

Note

IR Spectra of the different phases

Gas spectra
Absorption spectra of liquid and solid water

» Cluster

Water dimer

History Review

  • Exp []
  • Model []
Influence on the IR bands

Cooperative Hydrogen Bonding

increase in dipole moment with the increase in hydrogen bonding coordination

Effect on the IR vibrations
  • []

Note

what these underlying absorption peaks represent?

  • Is it the number of H bonds that is important []
  • the Type of H bonds (single, bifurcated, trifurcated) ?
  • HB bending angle ? []
  • Nature of the formed or broken donor and acceptor hydrogen bonds []
  • length of the hydrogen bonds []

The absorption bands also reflect coherent vibrational transfer involving several to many water molecules - [] (liquid water work)

Fitting method
  • []

OH stretch is big potato, sum of multiple subfeature (peaks)

Gaussian or Lorentzian ?
  • Voight profile ? (combination of both)

Other clusters

[]

» Crystalisation

At molecular scales (few molecules up to 100 ?) - Matrix isolation techniques

Water_moleucule

Question

At what number of molecule do you consider a solid phase

Liquid#

  • Review: []

Note

Good article to make the link between the 2 phases

Solid#

Glasses and supercooled liquids#

  • Review: []