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

5. E r Understand Bonding and Modeling: 1.Atomic  Macro 2.Spreadsheets modeling 3.Structured approach 4.Build, validate, and apply model E= E A + E R

6. Atomic  Macro

20. Atomic Interaction nucleus inner shell outer shell

21. Atomic Interaction Attraction (Outer shells)

22. Atomic Interaction Repulsion (Inner shells and nuclei)

23. Atomic Interaction Equilibrium (Repulsion = Attraction)

24. 0 Energy 0 Interatomic Spacing Bond Energy: E A

25. Energy 0 0 Interatomic Spacing Bond Energy: E R

26. Energy 0 r0r0 Interatomic Spacing 0 Bond Energy: E = E R + E A

27. Force 0 r0r0 Interatomic Spacing Bond Force: F = F R + F A 0

28. Modeling

36. 1)Build spreadsheet model

37. Modeling 1)Build spreadsheet model

38. Modeling 1)Build spreadsheet model

39. Modeling 1)Build spreadsheet model

40. Modeling 1)Build spreadsheet model 2)Validate model 3)Use model for additional NaCl-type compounds 4)Compare to results from experiments 1)Build spreadsheet model 2)Validate model 3)Use model for additional NaCl-type compounds 1)Build spreadsheet model 2)Validate model 1)Build spreadsheet model

41. Atomic  Macro Bonding  Properties Model vs. Experiment Applications - Manufactured molecules - Pharmaceuticals - Catalysts - Solid-state devices… Summary Random SiO 2 tetrahedrons; Image by Lilian Davila

42. Handout Sequence Follows

43. 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

44. E r Objectives Understand Bonding and Modeling: 1.Atomic  Macro 2.Spreadsheets modeling 3.Structured approach 4.Build, validate, and apply model E= E A + E R

45. Atomic  Macro

46. Atomic Interaction Attraction (Outer shells)

47. Atomic Interaction Repulsion (Inner shells and nuclei)

48. Atomic Interaction Equilibrium (Repulsion = Attraction)

49. Energy 0 r0r0 Interatomic Spacing 0 Bond Energy: E = E R + E A

50. Force 0 r0r0 Interatomic Spacing Bond Force: F = F R + F A 0

51. Modeling 1)Build spreadsheet model 2)Validate model 3)Use model for additional NaCl-type compounds 4)Compare to results from experiments 1)Build spreadsheet model 2)Validate model 3)Use model for additional NaCl-type compounds 1)Build spreadsheet model 2)Validate model 1)Build spreadsheet model

52. Atomic  Macro Bonding  Properties Model vs. Experiment Applications - Manufactured molecules - Pharmaceuticals - Catalysts - Solid-state devices… Summary Random SiO 2 tetrahedrons; Image by Lilian Davila