Chimie verte

Résumé

La chimie verte, appelée aussi chimie durable ou chimie écologique ou chimie renouvelable, prévoit la mise en œuvre de principes pour réduire et éliminer l'usage ou la génération de substances néfastes pour l'environnement. Ceci doit se faire par de nouveaux produits (agroressources, ressources renouvelables), procédés chimiques et des voies de synthèses « propres », c'est-à-dire respectueuses de l'environnement. Désormais, le développement de la chimie industrielle, issu des dérivés hydrocarburés selon un paradigme hérité du , doit intégrer les objectifs que la gouvernance environnementale a identifié dans ses aspects économiques et de préservation de la santé humaine. Cela concerne notamment le nombre croissant de pathologies : maladie d'Alzheimer, cancer, diabètes. Un de ces enjeux consiste à juguler la production massive de neurotoxiques cancérogènes tels le bisphénol A, le phosgène (polycarbonates et polyuréthanes), les perturbateurs endocriniens et les substances classées CMR

Source officielle

https://fr.wikipedia.org/wiki/Chimie_verte

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Cours associés (35)

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Publications associées (46)

Less toxic chemistry: the keys to substitution

Omar Lahrech

2018

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Developing mathematical models for chemical reaction systems is essential for analysis, development, design, optimization and control of chemical, or biochemical industrial processes. Nowadays, more and more companies across the world have to deal with innovative concepts such as the Sustainable Chemistry (or "Green Chemistry"), which particularly require good knowledge of chemical reactions systems. Well-defined chemical operations involved in a process lead to its efficiency, energy saving and an improvement of the product quality. Furthermore, plants adopting this new philosophy minimize their byproduct production and pollutant formation. This master thesis works on developing a methodology for analysis and kinetic modeling of chemical reaction systems. In this present study, the case where chemical reactions take place in both phases of a heterogeneous biphasic fluid-fluid (F-F) reactor under isothermal conditions is considered. In order to model homogeneous or heterogeneous (F-F) chemical systems, a new approach called “Extent-based Incremental Identification” has recently been developed by the Laboratoire d’Automatique (EPFL). In contrast to the commonly used simultaneous approach, this extent-based incremental approach can compute parameters corresponding to reaction and mass transfer rates individually for each reaction and mass transfer laws, and also does not require prior postulation or knowledge of rate laws. This particular case is an extension of the dissertation done by Nirav Bhatt [1], which considers a heterogeneous chemical reaction system with reactions in one of the phases with steady state mass-transfer between the phases, and work done by Michael Amrhein [2], who developed a linear transformation that computed the extents of reaction from the numbers of moles in homogeneous reaction systems, with inlet and outlet streams. [1] Nirav Bhatt, EPFL Diss. n° 5028 (2011) [2] Amrhein et al., AIChE J. 56 (2010), 2873-2886

2013

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Towards a Composite Benchmark Method for the Aqueous Solvation Free Energies of Organic Compounds

Daniel David Sadowsky

Water is ubiquitous in the biosphere, and the difficulty of rigorously treating the effects of aqueous solvation currently limits the widespread use of computational methods in many areas of environmental chemistry. We propose an approach to benchmark calculations of aqueous free energies of solvation based on molecular dynamics simulation which is derived from first principles, statistical mechanically complete, and systematically improvable. The approach partitions the solvation free energy into the free energies of solvent density change, solvent cavity organization, and solvent-solute interaction, each of which is computed from first principles. A composite approach is considered for the calculation of the contributions of quantum nuclear effects to solvation free energies and the contributions of electron correlation and relativistic effects to solvent-solute interactions.

2015

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