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Part Ⅰ Product Innovations 3

1 Product Exploration and Discovery 3

1.1 Freon CFC, 1928 5

1.2 Market-Pull, Search for Technology 12

1.3 Technology-Push, Search for Market 24

2 Product Development to Business 34

2.1 Nylon: Centralized Development 35

2.2 Penicillin: Distributed Development 38

2.3 Taxol: Distributed Development 41

2.4 Tasks and Skills in Product Innovation 45

Part Ⅱ Molecular Structure-Property Relations 53

3 Search Challenges and Methods 53

3.1 Forward Search from Material to Property 55

3.2 Reverse Search from Properties to Material 59

3.3 Searches from Technology to Markets 61

3.4 Literature and Databases 62

4 Theory and Quantitative Predictions 72

4.1 Single Molecules 72

4.2 Statistical Thermodynamics 105

4.3 Gases, Solids, and Liquids 124

5 Predictions by Correlations 153

5.1 Populations, Predictors, and Functions 153

5.2 Regression with a Single Predictor 161

5.3 Regression with Several Predictors 174

5.4 Group Contribution Methods 182

5.5 Mixtures and Composite Materials 188

6 Estimation by Associations and Trends 199

6.1 Empirical Structure-Property Relations 200

6.2 Structure Effects and Ambient Influences on Properties 203

6.3 Risk Assessment 211

7 Random Searches 229

7.1 Strategies of Random Searches 229

7.2 Combinatorial Chemistry 234

8 Research Frontiers 237

8.1 Synthesis and Discovery 237

8.2 Measurement and Discovery 238

8.3 Understanding of Molecular Structure-Property Relationships 239

8.4 Prediction of Molecular Structure-Property Relationships 240

Part Ⅲ Product Engineering 245

9 Product Marketing 245

9.1 The Sellers: The Chemical Processing Industries 246

9.2 The Buyers 254

9.3 Marketing Gasoline: A Mature Product 268

9.4 Marketing Ink for Inkjet Printers 277

10 Safety, Health, and Environment 284

10.1 The Responsibilities of the Chemical Processing Industries 285

10.2 Health and Safety Problems 290

10.3 Environmental Problems 296

10.4 Green Engineering 299

11 Product Design 308

11.1 Bottled Drinking Water: Fluid Compound 310

11.2 Missile Fuel: Homogeneous Fluid Solution 316

11.3 Adsorbents for Separation: Solid Material 320

11.4 Controlled Drug Release: Composite Solid 325

11.5 Evaluation, Selection, and Business Plan 329

12 Product Innovation Opportunities 340

12.1 Market-Pull Opportunities 341

12.2 Technology-Push Opportunities 345

Appendix 351

Index 357