atomic macro atomic interaction - k street studio · 2019-06-24 · experiment 1 – the ionic bond...
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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
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