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Experiment 1 – The Ionic BondExperiment 1 – The Ionic BondENG-45, Properties of MaterialsDepartment of Chemical Engineering and Materials ScienceUniversity of California, Davis

NaCl Crystal Structure Matt Camilleri and Mike Meier, 2004

E

r

ObjectivesObjectivesUnderstand Bonding and

Modeling:1. Atomic ↔ Macro2. Spreadsheets modeling3. Structured approach4. Build, validate, and apply

model

E= EA + ER

Atomic ↔MacroAtomic ↔Macro Atomic InteractionAtomic InteractionAttraction

(Outer shells)

Atomic InteractionAtomic InteractionRepulsion

(Inner shells and nuclei)

Atomic InteractionAtomic InteractionEquilibrium

(Repulsion = Attraction)

2

Ener

gy

0

r0Interatomic Spacing0

Bond Energy: E = ER + EABond Energy: E = ER + EA

Forc

e

0

r0Interatomic Spacing

Bond Force: F = FR + FABond Force: F = FR + FA

0

ModelingModeling1) Build spreadsheet model2) Validate model3) Use model for additionalNaCl-type compounds

4) Compare to results from experiments

1) Build spreadsheet model2) Validate model3) Use model for additionalNaCl-type compounds

1) Build spreadsheet model2) Validate model1) Build spreadsheet model • Atomic → Macro

• Bonding → Properties

• Model vs. Experiment

• Applications- Manufactured molecules- Pharmaceuticals- Catalysts- Solid-state devices…

SummarySummary

Random SiO2 tetrahedrons; Image by Lilian Davila