Technical and Economical Evaluation of Products at the Early Development Stage

Jean-Pierre Dal Pont is President of the Société des Experts Chimistes de France (SECF). As a specialist in process industries, he was an industrial manager in the United States and Asia Pacific for many years.

• Foreword by Jean-Luc Fugit xviiJean-Luc FUGITForeword by Ignasi Palou-Rivera xxiIgnasi PALOU-RIVERAForeword by Magali Smets xxiiiMagali SMETSAcknowledgments xxvJean-Pierre DAL PONTGeneral Introduction xxixJean-Pierre DAL PONTPart 1 Eco-Chemistry for Sustainable Products®: Solutions for a Chemical Transition 1Introduction to Part 1 3Philippe GIRARDON and Valérie LUCASChapter 1 Our Home: The Earth 7Philippe GIRARDON1.1 Current situation 71.2 Climate change 71.3 Greenhouse gas emissions 81.4 Finite resources 81.5 Consumption of raw materials (excluding water and energy) 91.6 Energy resources 111.7 Strategic minerals and materials 121.8 Water: the most precious commodity; a source of strategic challenges 141.9 References 15Chapter 2 Toward a Holistic Approach to the Chemical Industry Cycle 17Ismahane REMONNAY2.1 Transparency, traceability, sustainability, a new collaboration for sustainable and responsible chemistry 182.2 A new European strategy to support the “zero pollution” ambition of the European Green Deal 192.3 New concepts to support the creation of sustainable products: safe and sustainable by design 202.3.1 Toward progressive phasing out of harmful substances 202.3.2 Toward an approach to “convenience” chemistry versus essential and sustainable chemistry: the concept of essential and nonessential use 222.4 Toward a better understanding of harmful pollutants through the acquisition of robust scientific data 222.4.1 Pollutants of concern: a constantly evolving list and increasingly precise criteria 222.4.2 Reaffirming the chemical iceberg concept 232.4.3 Mixtures and cocktail effects 242.4.4 A substance, an assessment and the grouping approach 242.4.5 An ambitious roadmap 262.5 The new international framework 282.6 Conclusion and prospects 302.7 References 31Chapter 3 How Can Action Be Managed? The Fundamentals: Ecodesign, Life Cycle Assessment and Circular Economy 33Guy-Noël SAUVION3.1 Taking stock of existing technologies 343.2 Shifting from a linear to a circular economy 383.3 Ecodesign 453.3.1 Ecodesign or ecoinnovation? 493.3.2 Creating environmental value 513.3.3 Sustainability in the broadest sense 523.4 Lifecycle assessment 533.4.1 Principle and general information 543.4.2 Applications for the chemical industry 603.4.3 Points to consider when implementing LCA 623.4.4 Applying the LCA results 633.5 Tools more specific to the chemical industry 653.6 Carbon footprint and carbon content of products 703.6.1 Connection with the company’s GHG balance sheet 763.7 Conclusion 773.8 References 77Chapter 4 Greenhouse Gases and Climate Change 79Quentin TIZON4.1 Greenhouse gases? 794.2 What effects do greenhouse gases have on the climate? 804.2.1 Pros and cons of the greenhouse effect 814.3 Measuring and assessing greenhouse gases 834.4 The bilan carbone ® : principle and method 844.5 What the bilan carbone ® could mean for the chemical industry 864.6 Sector transition strategy: the example of ammonia 874.6.1 The example of ammonia 874.7 References 90Chapter 5 Ecodesigned Products: Issues and Solutions 93Valérie LUCAS5.1 Plant-based chemistry: a source of biobased raw materials 935.1.1 Plant-based chemistry 935.1.2 Biobased chemical synthons and intermediates 945.1.3 Bioprocesses and biotechnologies 945.1.4 Biorefineries 955.1.5 Biofuels 965.1.6 Bioproducts: biosolvents, biosurfactants, biolubricants and bioplasticizers 965.1.7 Biopolymers and plant-based plastics 965.2 Biomimicry 975.3 Impact on health and the environment 985.4 An example case study: biobased paints 985.5 References 100Chapter 6 Paints and Durability 101Bernard CHAPUIS6.1 Components of paint 1026.2 Paint production 1046.3 Industrial hygiene 1046.4 Norms and regulations 1046.5 Certification 1066.6 References 107Chapter 7 A Few Case Studies 109Philippe GIRARDON7.1 Fashion and apparel 1097.2 Cosmetics 1107.3 Packaging materials: recycling challenges 1117.4 Waste: recycling plastics and other materials 1117.5 References 114Chapter 8 Packaging and Tracers for the Industry of the Future 115Claude LAMBERT8.1 Purpose of packaging? Product protection and traceability 1168.2 Why trace packages? 1168.3 Principle and definitions: the marker/tracer procedure 1178.4 Strategy and selection, ecodesign 1188.4.1 Surface marking 1188.4.2 Mass marking 1198.4.3 Compatibility of different markers used simultaneously 1198.5 Applications 1198.5.1 Plastics 1198.5.2 Packages 1208.5.3 Recycling: new materials 1208.6 Tracers and 3D printers 1208.7 Health: harmless – food safety 1218.8 Tracers and society 1218.9 References 122Conclusion to Part 1 Between Contradictions, Challenges and Opportunities 123Jean-Pierre DAL PONTPart 2 Toxicology and Ecotoxicology: A Contribution to the Design of New Chemical Substances 127Introduction to Part 2 Aim of the Technical Guide 129Alain LOMBARDChapter 9 Methodology at the Research Stage of New Molecules, New Substances and New Ingredients 131Alain LOMBARD, Philippe LEMAIRE, Jacques L’HARIDON,Michel ROYER and Paule VASSEUR9.1 Process for defining the target chemical structure 1349.1.1 Defining alerts based on potential hazards: using in silico models 1349.1.2 Detection of CMR (carcinogenic, mutagenic or reprotoxic) potential using in silico methods 1359.2 Physical–chemical properties of substances 1379.3 Modeling strategy and acceptability of health, environment and safety alert levels 1429.4 Persistence and bioaccumulation (P–B) properties 1439.4.1 Persistence (P) 1449.4.2 Bioaccumulation (B) 1459.5 Ecotoxicology and environmental toxicity 1459.5.1 Rapid screening tests in ecotoxicology 1459.5.2 Screening tests for potential endocrine disrupting effects for the environment 1489.6 Human toxicology 1499.6.1 Strategy for local tolerance tests on cell cultures 1499.6.2 Acute, subchronic and chronic systemic toxicity studies 1519.6.3 Identification of CMR properties: carcinogenic, mutagenic and reprotoxic 1529.6.4 Detection of endocrine disrupting properties 1569.7 Conclusion to the technical guide 1589.7.1 Drawing up a summary table 1589.7.2 How to use the summary table 1599.7.3 Practical uses of the guide 1599.8 References 160Chapter 10 Detailed Test Explanations: Decision Support for Hazard Assessment of New Substances 163Alain LOMBARD, Philippe LEMAIRE, Jacques L’HARIDON and Paule VASSEUR10.1 Applying models: in silico testing 16310.1.1 Quantitative structural activity/quantitative structural activity relationship (QSAR) 16310.1.2 Trend analysis, read across 16410.1.3 Dose‒response models 16510.1.4 Rule-based models 16510.1.5 The OECD toolbox model 16610.2 Ecotoxicology 16710.2.1 Definitions 16710.2.2 Ecotoxicological impact assessment 16810.2.3 Ecotoxicity tests 17010.3 Toxicology 17410.3.1 Ocular corrosion 17410.3.2 Cutaneous irritation 17410.3.3 Ocular irritation 17510.3.4 Cutaneous sensitization 17610.4 Assessing toxic potential 17810.4.1 Cytotoxicity studies 17810.4.2 Software for chemical molecule design from the Swiss Institute of Bioinformatics (SIB) 17810.5 Risk models based on uncertainty factors (UF models) 17910.6 Rapid tests for the detection of mutagenicity 17910.6.1 First option: two regulatory micromethod tests 18010.6.2 Second option: high-throughput biomarker method 18310.6.3 Add-and-read test strategy 18610.7 Detection of in vitro carcinogenic potential 18910.7.1 Tests on human organoids 18910.8 Tests to determine the reprotoxic potential of substances 19010.8.1 Reproductive toxicity 19010.8.2 Embryonic development toxicity 19110.9 Detection of in silico and in vitro endocrine disruptors 19610.9.1 Endocrine disruptors (EDs): a general overview 19610.9.2 Nuclear and membrane receptors and cytochrome P450 19710.9.3 Detection of ED potential via in silico testing 20110.9.4 Detection of ED potential via in vitro tests 20210.9.5 Testing for effects not mediated by nuclear receptors 20510.9.6 In vitro cellular methods and bioluminescent lines 20610.9.7 In vitro tests under development 20610.10 List of acronyms 20710.11 Contributor backgrounds 20910.12 References 210Chapter 11 Contributions from Guest Experts 217Alain LOMBARD with contributions by guest experts Stéphane PIRNAY, Patrick BALAGUER and Philippe HUBERT11.1 The expert toxicologist expertise in service to the safety of all! 21711.1.1 Further reading 22111.2 Study of interactions between environmental compounds and nuclear receptors 22211.2.1 EDC action on hormones 22311.2.2 Nuclear receptors 22311.2.3 Nuclear receptor detection methods 22511.2.4 Examples 22611.2.5 MELN (luciferase-transfected human breast cancer cell line gene-reporter assay) 22711.2.6 Automation of the luciferase method 22811.2.7 Interactions with environmental compounds 23011.2.8 In conclusion 23211.3 PEPPER, accelerating the fight against endocrine disruptors 23311.3.1 PEPPER: accelerating the fight against endocrine disruptors through validation of tests 23411.3.2 Endocrine disruptors 23611.3.3 The need to escape the world of doubt 23911.3.4 PEPPER’s works and governance 24211.3.5 The future of PEPPER in Europe: achievements and challenges 24811.4 References 249Part 3 Product Industrialization 251Introduction to Part 3 253Jean-Pierre DAL PONT, Patrick DUCOURET, Michel ROYER and Mongi SAKLYChapter 12 The Company and Its Manufacturing Facilities 255Michel ROYER and Patrick DUCOURET12.1 The founding fathers 25612.2 The four pillars of a company 25812.3 Anatomy of a company: functions 25812.4 Manufacturing facilities 26012.4.1 Anatomy of a factory: its functions 26012.4.2 Typology of the means of production: VAT analysis 26112.4.3 The company and industrial production as seen through flows 26212.5 The company’s industrial strategy 26312.6 References 267Chapter 13 From Research to the Factory: The Industrialization Process 269Jean-Pierre DAL PONT13.1 Basic concepts 26913.2 Organization of a project, from the laboratory to completion 27113.3 Organization of a project in the execution phase 27213.4 Project management 27313.5 The pitfalls of project management 27313.6 References 274Chapter 14 Working by Project 275Jean-Pierre DAL PONT, Patrick DUCOURET and Michel ROYER14.1 Industrialization: steps for the process engineer 27514.2 Simulation and modeling in the age of artificial intelligence (AI) 27714.3 Project engineering 28014.3.1 A series of stages 28014.3.2 Project engineering: basic concepts and engineering companies 28114.4 Credit application: investment file 28514.5 References 286Chapter 15 Understanding Margins 287Jean-Pierre DAL PONT15.1 Notions of product cost price 28715.2 Profit and loss accounting as a decision-making tool, limited to gross margin 28915.2.1 Sales figures 28915.2.2 The contribution margin 28915.2.3 The gross profit margin 29015.2.4 Depreciation and amortization 29115.3 Other margins 29215.3.1 The workshop 29215.3.2 Cash flow 29315.4 A few aphorisms 29415.5 References 294Chapter 16 Technology Management 295Jean-Pierre DAL PONT and Patrick DUCOURET16.1 Nature and the importance of technology 29516.2 Technology, know-how and knowledge management 29616.3 Enterprise and ecosystem, technology and industrial enterprise 29816.4 Strategic analysis and framework for progress 30016.5 Existing and incremental improvements 30116.6 Breakthrough research 30216.7 Serendipity and innovation: the barriers to change, the research and development function (innovation) 30316.8 Technological readiness 30516.9 Japanese methods 30516.10 Intellectual property 30616.11 References 307Chapter 17 Choosing Industrial Sites 309Jean-Pierre DAL PONT17.1 Building “new” on a new site 31017.1.1 Site 31017.1.2 Resources 31017.1.3 Regulations 31117.1.4 Financial aspects 31117.2 Building “new” on an existing site 31117.2.1 Governance aspects 31117.2.2 Resource availability and costs 31217.3 Relationship between existing factory and new workshop 31217.3.1 Cultural aspects: comparing two modes of industrial operation 31317.4 Building abroad 31417.5 References 315Chapter 18 The Factory of the Future: A New Paradigm 317Jean-Pierre DAL PONT, Patrick DUCOURET and Michel ROYER18.1 The digital revolution and digital tools 32018.1.1 Internet of Things (IoT) and Industrial Internet of Things (IIoT) 32118.1.2 Digital twins 32118.1.3 3D printers and additive manufacturing (AM) 32218.1.4 The augmented operator 32318.1.5 Cognitive assistance, augmented reality and virtual reality 32418.1.6 Physical assistance: robots and people 32418.1.7 The human/machine interface and human/machine interaction (HMI) in the digital age 32618.1.8 Corporate IT management and factory IT management 32718.2 The process at the heart of industrialization 32918.2.1 Process efficiency and intensification 32918.2.2 CAPEX-OPEX optimization 33118.2.3 Sustainability approach 33118.3 The fundamentals 33218.3.1 Operations management 33218.3.2 The transparent factory, a customer-oriented factory 33318.3.3 The pursuit of resilience, robustness and dependability 33318.3.4 Toward the factory and company of the future 33518.4 References 338Chapter 19 Generative Intelligence: A Revolution on Our Doorstep 339Willi MEIER19.1 Addressing challenges and seizing opportunities: a snapshot of the global chemical industry in 2024 34019.2 Transforming the global chemical industry: the role of AI and ChatGPT in 2024 34219.3 Optimization of reaction conditions for chemical synthesis 34319.4 Supply chain and operations 34519.5 Scenario: compliance with REACH regulations 34719.6 Scenario: detection and intervention in the event of a toxic gas leak 34919.7 Scenario: development of a biodegradable plastic for food packaging 35219.8 Application of ChatGPT to a liquid/liquid separation problem 35419.9 References 356Conclusion to Part 3 357Jean-Pierre DAL PONTGlossary For Further Information 361Jean-Pierre DAL PONTGeneral Conclusion What Does the Future Hold? 365Jean-Pierre DAL PONT, Philippe LEMAIRE, Alain LOMBARD and Valérie LUCASList of Authors 379Index 381