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Experiment 1 – The Ionic Bond

Understand and apply the fundamentals of atomic interactions in NaCl crystal bonding. Develop spreadsheet models to validate and compare to experimental results for various compounds.

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Experiment 1 – The Ionic Bond

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  1. Experiment 1 – The Ionic Bond ENG-45, Properties of Materials Department of Chemical Engineering and Materials Science University of California, Davis NaCl Crystal Structure Matt Camilleri and Mike Meier, 2004

  2. Objectives

  3. Objectives

  4. Objectives

  5. E r Objectives • Understand Bonding and Modeling: • Atomic  Macro • Spreadsheets modeling • Structured approach • Build, validate, and apply model E= EA + ER

  6. Atomic  Macro

  7. Atomic  Macro

  8. Atomic  Macro

  9. Atomic  Macro

  10. Atomic  Macro

  11. Atomic  Macro

  12. Atomic  Macro

  13. Atomic  Macro

  14. Atomic  Macro

  15. Atomic  Macro

  16. Atomic  Macro

  17. Atomic  Macro

  18. Atomic  Macro

  19. Atomic  Macro

  20. Atomic Interaction outer shell nucleus inner shell

  21. Atomic Interaction Attraction (Outer shells)

  22. Atomic Interaction Repulsion (Inner shells and nuclei)

  23. Atomic Interaction Equilibrium (Repulsion = Attraction)

  24. Bond Energy: EA Energy 0 0 Interatomic Spacing

  25. Bond Energy: ER Energy 0 0 Interatomic Spacing

  26. Bond Energy: E= ER + EA Energy 0 r0 0 Interatomic Spacing

  27. Bond Force: F = FR + FA Force 0 r0 0 Interatomic Spacing

  28. Modeling

  29. Modeling

  30. Modeling

  31. Modeling

  32. Modeling

  33. Modeling

  34. Modeling

  35. Modeling

  36. Modeling • Build spreadsheet model

  37. Modeling • Build spreadsheet model

  38. Modeling • Build spreadsheet model

  39. Modeling • Build spreadsheet model

  40. Modeling • Build spreadsheet model • Validate model • Use model for additional NaCl-type compounds • Compare to results from experiments • Build spreadsheet model • Validate model • Use model for additional NaCl-type compounds • Build spreadsheet model • Validate model • Build spreadsheet model

  41. Summary • Atomic  Macro • Bonding  Properties • Model vs. Experiment • Applications • - Manufactured molecules • - Pharmaceuticals • - Catalysts • - Solid-state devices… Random SiO2 tetrahedrons; Image by Lilian Davila

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