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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

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Objectives

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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

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Atomic Macro

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Atomic Interaction nucleus inner shell outer shell

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Atomic Interaction Attraction (Outer shells)

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Atomic Interaction Repulsion (Inner shells and nuclei)

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Atomic Interaction Equilibrium (Repulsion = Attraction)

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0 Energy 0 Interatomic Spacing Bond Energy: E A

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Energy 0 0 Interatomic Spacing Bond Energy: E R

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

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

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Modeling

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1)Build spreadsheet model

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Modeling 1)Build spreadsheet model

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Modeling 1)Build spreadsheet model

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Modeling 1)Build spreadsheet model

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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

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

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Handout Sequence Follows

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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

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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

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Atomic Macro

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Atomic Interaction Attraction (Outer shells)

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Atomic Interaction Repulsion (Inner shells and nuclei)

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Atomic Interaction Equilibrium (Repulsion = Attraction)

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

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

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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

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

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