Technical and Economical Evaluation of Products at the Early Development Stage

A company’s ability to innovate is challenged every day. It must constantly accelerate the time-to-market for its products in the face of unbridled global competition, all starting with an initial design and research stage. At this stage, the entrepreneur needs to know, as early as possible, the product's level of acceptability on the market, as well as its profitability. They must also comply with current health and environmental regulations and anticipate potential hazards. The entrepreneur also needs to swiftly assess technical and economic factors, such as the cost price of the new product, its profit margin, the amount of the investment and the time required for implementation. This collective work by the SECF (Société des Experts Chimistes de France) is aimed at process developers, whether industrial or academic, students or anyone interested in industrial and societal issues relating to products. Technical and Economical Evaluation of Products at the Early Development Stage is divided into three independent parts: eco-chemistry for sustainable products, toxicology and ecotoxicology, and product industrialization.

Foreword by Jean-Luc Fugit xvii Jean-Luc FUGIT Foreword by Ignasi Palou-Rivera xxi Ignasi PALOU-RIVERA Foreword by Magali Smets xxiii Magali SMETS Acknowledgments xxv Jean-Pierre DAL PONT General Introduction xxix Jean-Pierre DAL PONT Part 1 Eco-Chemistry for Sustainable Products®: Solutions for a Chemical Transition 1 Introduction to Part 1 3 Philippe GIRARDON and Valérie LUCAS Chapter 1 Our Home: The Earth 7 Philippe GIRARDON 1.1 Current situation 7 1.2 Climate change 7 1.3 Greenhouse gas emissions 8 1.4 Finite resources 8 1.5 Consumption of raw materials (excluding water and energy) 9 1.6 Energy resources 11 1.7 Strategic minerals and materials 12 1.8 Water: the most precious commodity; a source of strategic challenges 14 1.9 References 15 Chapter 2 Toward a Holistic Approach to the Chemical Industry Cycle 17 Ismahane REMONNAY 2.1 Transparency, traceability, sustainability, a new collaboration for sustainable and responsible chemistry 18 2.2 A new European strategy to support the “zero pollution” ambition of the European Green Deal 19 2.3 New concepts to support the creation of sustainable products: safe and sustainable by design 20 2.3.1 Toward progressive phasing out of harmful substances 20 2.3.2 Toward an approach to “convenience” chemistry versus essential and sustainable chemistry: the concept of essential and nonessential use 22 2.4 Toward a better understanding of harmful pollutants through the acquisition of robust scientific data 22 2.4.1 Pollutants of concern: a constantly evolving list and increasingly precise criteria 22 2.4.2 Reaffirming the chemical iceberg concept 23 2.4.3 Mixtures and cocktail effects 24 2.4.4 A substance, an assessment and the grouping approach 24 2.4.5 An ambitious roadmap 26 2.5 The new international framework 28 2.6 Conclusion and prospects 30 2.7 References 31 Chapter 3 How Can Action Be Managed? The Fundamentals: Ecodesign, Life Cycle Assessment and Circular Economy 33 Guy-Noël SAUVION 3.1 Taking stock of existing technologies 34 3.2 Shifting from a linear to a circular economy 38 3.3 Ecodesign 45 3.3.1 Ecodesign or ecoinnovation? 49 3.3.2 Creating environmental value 51 3.3.3 Sustainability in the broadest sense 52 3.4 Lifecycle assessment 53 3.4.1 Principle and general information 54 3.4.2 Applications for the chemical industry 60 3.4.3 Points to consider when implementing LCA 62 3.4.4 Applying the LCA results 63 3.5 Tools more specific to the chemical industry 65 3.6 Carbon footprint and carbon content of products 70 3.6.1 Connection with the company’s GHG balance sheet 76 3.7 Conclusion 77 3.8 References 77 Chapter 4 Greenhouse Gases and Climate Change 79 Quentin TIZON 4.1 Greenhouse gases? 79 4.2 What effects do greenhouse gases have on the climate? 80 4.2.1 Pros and cons of the greenhouse effect 81 4.3 Measuring and assessing greenhouse gases 83 4.4 The bilan carbone ® : principle and method 84 4.5 What the bilan carbone ® could mean for the chemical industry 86 4.6 Sector transition strategy: the example of ammonia 87 4.6.1 The example of ammonia 87 4.7 References 90 Chapter 5 Ecodesigned Products: Issues and Solutions 93 Valérie LUCAS 5.1 Plant-based chemistry: a source of biobased raw materials 93 5.1.1 Plant-based chemistry 93 5.1.2 Biobased chemical synthons and intermediates 94 5.1.3 Bioprocesses and biotechnologies 94 5.1.4 Biorefineries 95 5.1.5 Biofuels 96 5.1.6 Bioproducts: biosolvents, biosurfactants, biolubricants and bioplasticizers 96 5.1.7 Biopolymers and plant-based plastics 96 5.2 Biomimicry 97 5.3 Impact on health and the environment 98 5.4 An example case study: biobased paints 98 5.5 References 100 Chapter 6 Paints and Durability 101 Bernard CHAPUIS 6.1 Components of paint 102 6.2 Paint production 104 6.3 Industrial hygiene 104 6.4 Norms and regulations 104 6.5 Certification 106 6.6 References 107 Chapter 7 A Few Case Studies 109 Philippe GIRARDON 7.1 Fashion and apparel 109 7.2 Cosmetics 110 7.3 Packaging materials: recycling challenges 111 7.4 Waste: recycling plastics and other materials 111 7.5 References 114 Chapter 8 Packaging and Tracers for the Industry of the Future 115 Claude LAMBERT 8.1 Purpose of packaging? Product protection and traceability 116 8.2 Why trace packages? 116 8.3 Principle and definitions: the marker/tracer procedure 117 8.4 Strategy and selection, ecodesign 118 8.4.1 Surface marking 118 8.4.2 Mass marking 119 8.4.3 Compatibility of different markers used simultaneously 119 8.5 Applications 119 8.5.1 Plastics 119 8.5.2 Packages 120 8.5.3 Recycling: new materials 120 8.6 Tracers and 3D printers 120 8.7 Health: harmless – food safety 121 8.8 Tracers and society 121 8.9 References 122 Conclusion to Part 1 Between Contradictions, Challenges and Opportunities 123 Jean-Pierre DAL PONT Part 2 Toxicology and Ecotoxicology: A Contribution to the Design of New Chemical Substances 127 Introduction to Part 2 Aim of the Technical Guide 129 Alain LOMBARD Chapter 9 Methodology at the Research Stage of New Molecules, New Substances and New Ingredients 131 Alain LOMBARD, Philippe LEMAIRE, Jacques L’HARIDON,Michel ROYER and Paule VASSEUR 9.1 Process for defining the target chemical structure 134 9.1.1 Defining alerts based on potential hazards: using in silico models 134 9.1.2 Detection of CMR (carcinogenic, mutagenic or reprotoxic) potential using in silico methods 135 9.2 Physical–chemical properties of substances 137 9.3 Modeling strategy and acceptability of health, environment and safety alert levels 142 9.4 Persistence and bioaccumulation (P–B) properties 143 9.4.1 Persistence (P) 144 9.4.2 Bioaccumulation (B) 145 9.5 Ecotoxicology and environmental toxicity 145 9.5.1 Rapid screening tests in ecotoxicology 145 9.5.2 Screening tests for potential endocrine disrupting effects for the environment 148 9.6 Human toxicology 149 9.6.1 Strategy for local tolerance tests on cell cultures 149 9.6.2 Acute, subchronic and chronic systemic toxicity studies 151 9.6.3 Identification of CMR properties: carcinogenic, mutagenic and reprotoxic 152 9.6.4 Detection of endocrine disrupting properties 156 9.7 Conclusion to the technical guide 158 9.7.1 Drawing up a summary table 158 9.7.2 How to use the summary table 159 9.7.3 Practical uses of the guide 159 9.8 References 160 Chapter 10 Detailed Test Explanations: Decision Support for Hazard Assessment of New Substances 163 Alain LOMBARD, Philippe LEMAIRE, Jacques L’HARIDON and Paule VASSEUR 10.1 Applying models: in silico testing 163 10.1.1 Quantitative structural activity/quantitative structural activity relationship (QSAR) 163 10.1.2 Trend analysis, read across 164 10.1.3 Dose‒response models 165 10.1.4 Rule-based models 165 10.1.5 The OECD toolbox model 166 10.2 Ecotoxicology 167 10.2.1 Definitions 167 10.2.2 Ecotoxicological impact assessment 168 10.2.3 Ecotoxicity tests 170 10.3 Toxicology 174 10.3.1 Ocular corrosion 174 10.3.2 Cutaneous irritation 174 10.3.3 Ocular irritation 175 10.3.4 Cutaneous sensitization 176 10.4 Assessing toxic potential 178 10.4.1 Cytotoxicity studies 178 10.4.2 Software for chemical molecule design from the Swiss Institute of Bioinformatics (SIB) 178 10.5 Risk models based on uncertainty factors (UF models) 179 10.6 Rapid tests for the detection of mutagenicity 179 10.6.1 First option: two regulatory micromethod tests 180 10.6.2 Second option: high-throughput biomarker method 183 10.6.3 Add-and-read test strategy 186 10.7 Detection of in vitro carcinogenic potential 189 10.7.1 Tests on human organoids 189 10.8 Tests to determine the reprotoxic potential of substances 190 10.8.1 Reproductive toxicity 190 10.8.2 Embryonic development toxicity 191 10.9 Detection of in silico and in vitro endocrine disruptors 196 10.9.1 Endocrine disruptors (EDs): a general overview 196 10.9.2 Nuclear and membrane receptors and cytochrome P450 197 10.9.3 Detection of ED potential via in silico testing 201 10.9.4 Detection of ED potential via in vitro tests 202 10.9.5 Testing for effects not mediated by nuclear receptors 205 10.9.6 In vitro cellular methods and bioluminescent lines 206 10.9.7 In vitro tests under development 206 10.10 List of acronyms 207 10.11 Contributor backgrounds 209 10.12 References 210 Chapter 11 Contributions from Guest Experts 217 Alain LOMBARD with contributions by guest experts Stéphane PIRNAY, Patrick BALAGUER and Philippe HUBERT 11.1 The expert toxicologist expertise in service to the safety of all! 217 11.1.1 Further reading 221 11.2 Study of interactions between environmental compounds and nuclear receptors 222 11.2.1 EDC action on hormones 223 11.2.2 Nuclear receptors 223 11.2.3 Nuclear receptor detection methods 225 11.2.4 Examples 226 11.2.5 MELN (luciferase-transfected human breast cancer cell line gene-reporter assay) 227 11.2.6 Automation of the luciferase method 228 11.2.7 Interactions with environmental compounds 230 11.2.8 In conclusion 232 11.3 PEPPER, accelerating the fight against endocrine disruptors 233 11.3.1 PEPPER: accelerating the fight against endocrine disruptors through validation of tests 234 11.3.2 Endocrine disruptors 236 11.3.3 The need to escape the world of doubt 239 11.3.4 PEPPER’s works and governance 242 11.3.5 The future of PEPPER in Europe: achievements and challenges 248 11.4 References 249 Part 3 Product Industrialization 251 Introduction to Part 3 253 Jean-Pierre DAL PONT, Patrick DUCOURET, Michel ROYER and Mongi SAKLY Chapter 12 The Company and Its Manufacturing Facilities 255 Michel ROYER and Patrick DUCOURET 12.1 The founding fathers 256 12.2 The four pillars of a company 258 12.3 Anatomy of a company: functions 258 12.4 Manufacturing facilities 260 12.4.1 Anatomy of a factory: its functions 260 12.4.2 Typology of the means of production: VAT analysis 261 12.4.3 The company and industrial production as seen through flows 262 12.5 The company’s industrial strategy 263 12.6 References 267 Chapter 13 From Research to the Factory: The Industrialization Process 269 Jean-Pierre DAL PONT 13.1 Basic concepts 269 13.2 Organization of a project, from the laboratory to completion 271 13.3 Organization of a project in the execution phase 272 13.4 Project management 273 13.5 The pitfalls of project management 273 13.6 References 274 Chapter 14 Working by Project 275 Jean-Pierre DAL PONT, Patrick DUCOURET and Michel ROYER 14.1 Industrialization: steps for the process engineer 275 14.2 Simulation and modeling in the age of artificial intelligence (AI) 277 14.3 Project engineering 280 14.3.1 A series of stages 280 14.3.2 Project engineering: basic concepts and engineering companies 281 14.4 Credit application: investment file 285 14.5 References 286 Chapter 15 Understanding Margins 287 Jean-Pierre DAL PONT 15.1 Notions of product cost price 287 15.2 Profit and loss accounting as a decision-making tool, limited to gross margin 289 15.2.1 Sales figures 289 15.2.2 The contribution margin 289 15.2.3 The gross profit margin 290 15.2.4 Depreciation and amortization 291 15.3 Other margins 292 15.3.1 The workshop 292 15.3.2 Cash flow 293 15.4 A few aphorisms 294 15.5 References 294 Chapter 16 Technology Management 295 Jean-Pierre DAL PONT and Patrick DUCOURET 16.1 Nature and the importance of technology 295 16.2 Technology, know-how and knowledge management 296 16.3 Enterprise and ecosystem, technology and industrial enterprise 298 16.4 Strategic analysis and framework for progress 300 16.5 Existing and incremental improvements 301 16.6 Breakthrough research 302 16.7 Serendipity and innovation: the barriers to change, the research and development function (innovation) 303 16.8 Technological readiness 305 16.9 Japanese methods 305 16.10 Intellectual property 306 16.11 References 307 Chapter 17 Choosing Industrial Sites 309 Jean-Pierre DAL PONT 17.1 Building “new” on a new site 310 17.1.1 Site 310 17.1.2 Resources 310 17.1.3 Regulations 311 17.1.4 Financial aspects 311 17.2 Building “new” on an existing site 311 17.2.1 Governance aspects 311 17.2.2 Resource availability and costs 312 17.3 Relationship between existing factory and new workshop 312 17.3.1 Cultural aspects: comparing two modes of industrial operation 313 17.4 Building abroad 314 17.5 References 315 Chapter 18 The Factory of the Future: A New Paradigm 317 Jean-Pierre DAL PONT, Patrick DUCOURET and Michel ROYER 18.1 The digital revolution and digital tools 320 18.1.1 Internet of Things (IoT) and Industrial Internet of Things (IIoT) 321 18.1.2 Digital twins 321 18.1.3 3D printers and additive manufacturing (AM) 322 18.1.4 The augmented operator 323 18.1.5 Cognitive assistance, augmented reality and virtual reality 324 18.1.6 Physical assistance: robots and people 324 18.1.7 The human/machine interface and human/machine interaction (HMI) in the digital age 326 18.1.8 Corporate IT management and factory IT management 327 18.2 The process at the heart of industrialization 329 18.2.1 Process efficiency and intensification 329 18.2.2 CAPEX-OPEX optimization 331 18.2.3 Sustainability approach 331 18.3 The fundamentals 332 18.3.1 Operations management 332 18.3.2 The transparent factory, a customer-oriented factory 333 18.3.3 The pursuit of resilience, robustness and dependability 333 18.3.4 Toward the factory and company of the future 335 18.4 References 338 Chapter 19 Generative Intelligence: A Revolution on Our Doorstep 339 Willi MEIER 19.1 Addressing challenges and seizing opportunities: a snapshot of the global chemical industry in 2024 340 19.2 Transforming the global chemical industry: the role of AI and ChatGPT in 2024 342 19.3 Optimization of reaction conditions for chemical synthesis 343 19.4 Supply chain and operations 345 19.5 Scenario: compliance with REACH regulations 347 19.6 Scenario: detection and intervention in the event of a toxic gas leak 349 19.7 Scenario: development of a biodegradable plastic for food packaging 352 19.8 Application of ChatGPT to a liquid/liquid separation problem 354 19.9 References 356 Conclusion to Part 3 357 Jean-Pierre DAL PONT Glossary For Further Information 361 Jean-Pierre DAL PONT General Conclusion What Does the Future Hold? 365 Jean-Pierre DAL PONT, Philippe LEMAIRE, Alain LOMBARD and Valérie LUCAS List of Authors 379 Index 381