Nanotechnology: Basic Calculations for Engineers and Scientists

Preface xvii

Introduction xix

PART 1: CHEMISTRY FUNDAMENTALS AND PRINCIPLES 1

1 Units, Conversion Constants, and Dimensional Analysis 3

1.1 Background on the Metric System 4

1.2 Describe the SI System of Units 6

1.3 The Conversion Constant gc 9

1.4 Unit Conversion Factors: General Approach 10

1.5 Temperature Conversions 11

1.6 Pressure Calculations 11

1.7 Density and Thermal Conductivity 13

1.8 Viscosity Conversions 14

1.9 Air Quality Standard 14

1.10 Conversion Factors for Particulate Measurements 15

1.11 Significant Figures and Scientific Notation 15

1.12 Uncertainty in Measurement 17

2 Atoms, Elements, and the Periodic Table 19

2.1 Atomic Theory 21

2.2 The Avogadro Number 21

2.3 Mass and Size of Atoms 22

2.4 Atomic Conversions 23

2.5 Atomic Number, Atomic Weight, and Mass Number 24

2.6 Bismuth Application 24

2.7 Elements 24

2.8 Symbols for Elements 27

2.9 Periodic Table Application 28

2.10 Isotopes 29

3 Molecular Rearrangements 31

3.1 License Plate Sets 31

3.2 Chemical Permutations and Combinations 32

3.3 Formula Weight and Molecular Weight 34

3.4 Mole/Molecule Relationship 34

3.5 Pollutant Chemical Formulas 35

3.6 Stoichiometry 36

3.7 Limiting and Excess Reactants 36

3.8 Combustion of Chlorobenzene 37

3.9 Metal Alloy Calculation 39

3.10 Chemical Production 40

4 Concentration Terms 43

4.1 Density, Specific Gravity, and Bulk Density 43

4.2 Classes of Solution 45

4.3 Molality versus Molarity 45

4.4 Molar Relationships 46

4.5 Concentration Conversion 47

4.6 Chlorine Concentration 48

4.7 Trace Concentration 49

4.8 Ash Emission 50

4.9 Dilution Factor 51

4.10 Nano Exhaust to Atmosphere 52

4.11 Flue Gas Analysis 52

4.12 pH 53

5 Particle Size, Surface Area, and Volume 55

5.1 Sphere, Cube, Rectangular Parallelepiped, and Cylinder 56

5.2 Parallelogram, Triangle, and Trapezoid 57

5.3 Polygons 57

5.4 Elipse and Ellipsoid 58

5.5 Cones 58

5.6 Torus 59

5.7 Area to Volume Ratios 59

5.8 Area to Volume Calculation 60

5.9 Increase in Sphere Surface Area 60

5.10 Increase in Cube Surface Area 61

6 Materials Science Principles 63

6.1 Metals, Polymers, and Ceramics 63

6.2 Composites, Semiconductors, and Biomaterials 64

6.3 Crystal Coordination Numbers 64

6.4 Geometry of Metallic Unit Cells 70

6.5 Geometry of Ionic Unit Cells 75

6.6 Packing Factor 78

6.7 Density Calculation 80

6.8 Directions and Planes 83

6.9 Linear Density 88

6.10 Planar Density 90

7 Physical and Chemical Property Estimation 95

7.1 Property Differences 96

7.2 Material Selection 97

7.3 Vapor Pressure 97

7.4 Vapor Pressure Calculation 98

7.5 Heat of Vaporization From Vapor Pressure Data 99

7.6 Critical and Reduced Properties 100

7.7 Estimating Enthalpy of Vaporization 101

7.8 Viscosity 104

7.9 Thermal Conductivity 106

7.10 Thermal Conductivity Application 108

7.11 Nokay Equation and Lydersen’s Method 109

7.12 The Rihani and Doraiswamy Procedure, and the Lee–Kesler Equation 113

References: Part 1 117

PART 2: PARTICLE TECHNOLOGY 119

8 Nature of Particulates 121

8.1 Definition of Particulates 121

8.2 Dust, Smoke, and Fumes 122

8.3 Mist and Drizzle 123

8.4 Changing Properties 123

8.5 Dust Explosions 123

8.6 Adsorption and Catalytic Activity in the Atmosphere 125

8.7 Particle Size 125

8.8 Particle Volume and Surface Area 126

8.9 Volume/Surface Area Ratios 127

8.10 Particle Formation 128

9 Particle Size Distribution 131

9.1 Representative Sampling 131

9.2 Typical Particle Size Ranges 132

9.3 Particle Size Distribution and Concentration for Industrial Particulates 132

9.4 Particle Size Distribution 133

9.5 Median and Mean Particle Size 133

9.6 Standard Deviation 136

9.7 The Frequency Distribution Curve 137

9.8 The Cumulative Distribution Curve 138

9.9 The Normal Distribution 139

9.10 The Log Normal Distribution 141

9.11 Effect of Size Distribution on Cumulative Distribution Plots 143

9.12 Nanoparticle Size Variation With Time 145

10 Particle Sizing and Measurement Methods 151

10.1 Tyler and U.S. Standard Screens 152

10.2 Equivalent Diameter Terms 154

10.3 Aerodynamic Diameter 155

10.4 Sizing Devices 157

10.5 Rectangular Conduit Sampling 159

10.6 Volumetric Flow Rate Calculation 160

10.7 Particle Mass Flow Rate Calculation 162

10.8 Average Particle Concentration 163

10.9 Equal Annular Areas for Circular Ducts 164

10.10 Traverse Point Location in Circular Ducts 165

10.11 Duct Flow Equation Derivation 166

10.12 Source Characteristics and Variations 168

11 Fluid Particle Dynamics 171

11.1 The Gravitational Force 172

11.2 The Buoyant Force 172

11.3 The Drag Force 174

11.4 The Drag Coefficient 174

11.5 Equation of Particle Motion/Balance of Forces on a Particle 176

11.6 Particle Settling Velocity Equations 177

11.7 Determination of the Flow Regime 178

11.8 Settling Velocity Application 179

11.9 The Cunningham Correction Factor 180

11.10 Cunningham Correction Factor Values for Air at Atmospheric Pressure 181

11.11 Particle Settling Velocity – Different Regimes 182

11.12 Brownian Motion/Molecular Diffusion 186

12 Particle Collection Mechanisms 187

12.1 Gravity 188

12.2 Centrifugal Force 188

12.3 Inertial Impaction and Interception 190

12.4 Electrostatic Effects 192

12.5 Thermophoresis and Diffusiophoresis 193

12.6 Acceleration Effects 194

12.7 Brownian Motion/Molecular Diffusion Effects 194

12.8 Nonspherical Particles 196

12.9 Wall Effects 197

12.10 Multiparticle Effects 198

12.11 Multidimensional Flow 198

12.12 Collection Efficiency for Nanosized/Submicron Particles 199

13 Particle Collection Efficiency 201

13.1 Collection Efficiency: Loading Data 202

13.2 Collection Efficiency: Mass Rate 202

13.3 Efficiency of Multiple Collectors 204

13.4 Penetration 204

13.5 Collection Efficiency: Numbers Basis 205

13.6 Particle Size–Collection Efficiency Relationships 206

13.7 Collection Efficiency: Surface Area Basis 207

13.8 Particle Size Distribution/Size–Efficiency Calculation 208

13.9 Check for Emission Standards Compliance: Numbers Basis 210

13.10 Anderson 2000 Sampler 211

References: Part 2 215

PART 3: APPLICATIONS 217

14 Legal Considerations 219

14.1 Intellectual Property Law 219

14.2 Patents 220

14.3 Contract Law 220

14.4 Tort Law 221

14.5 Recent Patent Activity 222

14.6 Conservation Law For Mass 222

14.7 Conservation Law for Energy 224

14.8 The Second Law of Thermodynamics 226

14.9 Allowable Patent Application Claims 228

14.10 Practicing One’s Own Invention 229

15 Size Reduction 231

15.1 Size Reduction Objectives 231

15.2 Plasma-Based and Flame-Hydrolysis Methods 232

15.3 Chemical Vapor Deposition and Electrodeposition 233

15.4 Sol-Gel Processing 233

15.5 Mechanical Crushing 235

15.6 Promising Technologies 235

15.7 Energy and Power Requirements 236

15.8 Potential Dust Explosions With Size Reduction 238

15.9 Material Balance Size Reduction 238

15.10 Size Reduction Surface Area Increase 239

15.11 Fines Eductor Application 241

15.12 Fines Eductor Size Reduction 242

16 Prime Materials 245

16.1 Metals 246

16.2 Iron 246

16.3 Aluminum 247

16.4 Nickel 247

16.5 Silver 248

16.6 Gold 248

16.7 Iron Oxides 248

16.8 Aluminum Oxide 249

16.9 Zirconium Dioxide 249

16.10 Titanium Dioxide 250

16.11 Zinc Oxide 251

16.12 Silica Products 251

17 Production Manufacturing Routes 253

17.1 Carbon Nanotubes and Buckyballs 254

17.2 Semiconductor Manufacturing 255

17.3 Advanced Composites 256

17.4 Advanced Ceramics 258

17.5 Catalytic and Photocatalytic Applications 260

17.6 Gas Sensors and Other Analytical Devices 261

17.7 Consumer Products 262

17.8 Drug Delivery Mechanisms and Medical Therapeutics 262

17.9 Microelectronics Applications 264

17.10 Future Activites 264

18 Ventilation 267

18.1 Indoor Air Quality 268

18.2 Indoor Air/Ambient Air Comparison 269

18.3 Sources of Contaminents in Indoor Air 269

18.4 Industrial Ventilation System 271

18.5 Dilution Ventilation vs. Local Exhaust Systems 271

18.6 Ventilation Definitions 273

18.7 Air Exchange Rate 276

18.8 Accidental Emission 278

18.9 Dilution Ventilation Application 279

18.10 Vinyl Chloride Application 280

18.11 Ventilation Models 282

18.12 Minimum Ventilation Flowrate 286

19 Dispersion Considerations 289

19.1 Atmospheric Deposition Calculation 290

19.2 Ground Deposition of Particles 291

19.3 Plume Rise 293

19.4 Pasquill–Gifford Model 294

19.5 Ground-Level Particle Deposition 298

19.6 Line and Area Sources 300

19.7 Instantaneous “Puff” Model 303

19.8 Instantaneous “Puff” Sources 306

19.9 U.S. EPA Dispersion Models 307

19.10 Dispersion in Water Systems and Soils 308

19.11 Canal Concentration Profile 309

19.12 Accidenctal/Emergency Discharge into a Lake/Reservoir 311

20 Ethics 315

20.1 Determination of Ethical Values 315

20.2 Do’s and Don’ts 316

20.3 Codes of Ethics 316

20.4 The Heavy Metal Dilemma 317

20.5 Let Them Worry About It 319

20.6 It’s In the Air 321

20.7 Cheap at What Price 322

20.8 Safety Comes First 323

20.9 Intellectual Property 324

20.10 There’s No Such Thing as a Free Seminar 325

References: Part 3 327

PART 4: ENVIRONMENTAL CONCERNS 331

21 Environmental Regulations 333

21.1 The Regulatory System 334

21.2 Air Quality Issues 335

21.3 Particulate Loading 337

21.4 Clean Air Act Acronyms 339

21.5 Water Pollution Control 342

21.6 Water Quality Issues 343

21.7 Clean Water Act and PWPs 345

21.8 Wastewater Composition 346

21.9 Solid Waste Management Issues 348

21.10 Hazardous Waste Incinerator 349

21.11 Nanotechnology Environmental Regulations Overview 350

21.12 Nanotechnology Opponents 352

22 Toxicology 353

22.1 The Science of Toxicology 353

22.2 Toxicology Classifications 354

22.3 Routes of Exposure 354

22.4 Threshold Limit Value (TLV) 355

22.5 Toxicology Terminology 356

22.6 TLV vs. PEL 357

22.7 Toxicity Factors 357

22.8 OSHA and NIOSH 358

22.9 Toxicology Determination 359

22.10 IDLH and Lethal Level 359

22.11 Chemical Exposure 361

22.12 Threshold Limit Values 362

23 Noncarcinogens 365

23.1 Hazard Quotient 365

23.2 Reference Dose 366

23.3 Concept of Threshold 367

23.4 Exposure Duration Classification 368

23.5 Risk For Multiple Agents: Chronic Exposure 369

23.6 Risk for Multiple Agents: Subchronic Exposure 370

23.7 Multiple Exposure Pathways 371

23.8 MCL and RfD 372

23.9 Uncertainly and Modifying Factors 372

23.10 Calculating an RfD from NOAEL 373

23.11 Metal Plating Facility Application 374

23.12 Noncarcinogen Calculation Procedure 374

24 Carcinogens 377

24.1 Nonthreshold Concept 377

24.1 Weight of Evidence and Slope Factor 378

24.3 Carcinogenic Toxicity Values 380

24.4 Benzene in Water Application 381

24.5 Excess Lifetime Cancer Cases 382

24.6 Action Level 382

24.7 Accidental Spill 383

24.8 Uncertainties and Limitations 384

24.9 Multiple Chemical Agents and Exposure Pathways 385

24.10 Exponential Risk Model 386

24.11 Risk Algorithm 386

24.12 Risk Algorithm Application for Benzene 388

25 Health Risk Assessment 391

25.1 Risk Definitions 392

25.2 The Health Risk Evaluation Process 392

25.3 Standand Values for Individuals 394

25.4 Qualitative Risk Scenarios 395

25.5 Example of a Health Risk Assessment 396

25.6 Chemical Exposure in a Laboratory 397

25.7 Laboratory Spill 398

25.8 Respirators 399

25.9 Performance of a Carbon Cartridge Respirator 400

25.10 Sampling Program 402

26 Hazard Risk Assessment 407

26.1 Example of a Hazard 408

26.2 Risk Evaluation Process for Accidents 408

26.3 Plant and Process Safety 411

26.4 Series and Parallel Systems 412

26.5 Binomial Distribution 413

26.6 The Poisson Distribution 414

26.7 The Weibull Distribution 415

26.8 The Normal Distribution 416

26.9 Soil Contamination 419

26.10 Event Tree Analysis 420

26.11 Fault Tree Analysis 421

26.12 Upper and Lower Flamability Limits 425

27 Epidemiology 429

27.1 Historical View 429

27.2 Occupational Health 430

27.3 Descriptive Studies 431

27.4 Probability 432

27.5 Prevalence 432

27.6 Incidence Rate 433

27.7 The Mean 434

27.8 The Variance and the Standard Deviation 435

References: Part 4 437

Appendix Quantum Mechanics 439

Index 447