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E. Chapitre, . Aperçu, and . Main, Fichier principal, appels des routines Module général comprenant les déclarations de types dérivés & interfaces d'appels Base de données des constituants Initialisation des propriétés physico-chimiques Données physico-chimiques de l'AMP Données physico-chimiques de la MEA Données physico-chimiques de NH3 Gestion des systèmes réactionnels (équilibres, cinétiques) Données cinétiques pour l, f90 Compound-AMP.f90 Compound-MEA.f90 Compound-NH3.f90 ReacSet.f90 ReacSet-AMP.f90 ReacSet-MEA Controllers.f90 EnergyPenalty.f90 EquipmentManage.f90 Interfaces_UnitOperations.f90 Partitioning.f90 ProcessManage.f90 ProcessOptimParam.f90 ProcessSimul.f90 TechnoEconomic ProcessList/ ICA.f90 LVC.f90 SOC.f90 SSF.f90 TwoColumns DiffusionCoefficients.f90 Hydrodynamic.f90 TransportEqn.f90 SolveTransportEqnf90 film_EaDeff.f90 film_EaDeff_Strip.f90 film_MembraneContactor Absorber.f90 AbsorberNN.f90 Flashs.f90 HeatX.f90 MembraneContactor.f90 Mixer.f90 PressureChange.f90 Splitter.f90 Stripper.f90 Données cinétiques pour la MEA Données cinétiques pour NH3 Bibliothèques numériques (minpack, NLPQLP, linpack, openMP) et méthodes spécifiques (réseaux neuronaux, collocation orthogonale, Broyden) Simulation de procédés Gestion des variables et fonctions des contrôleurs Calcul de la pénalité énergétique Gestion des équipements, définition des spécifications Interfaces d'appels des opérations unitaires Partitionnement et séquençage du procédé Gestion du procédé : initialisation du procédé, connectivité, export des résultats Optimisation de procédés Simulateur de procédés Coût des équipements, CAPEX, OPEX, LCOE et coût du CO 2 évité Liste de procédés : 1 fichier par schéma de procédé Définition du procédé : spécification des opérations unitaires, connectivité des courants, choix des courants coupés Définition des variables d'optimisation et contrôleurs Initialisation des courants coupés Récupération des grandeurs pour le calcul de la fonction objectif Serveur de propriétés Calcul deabsorption avec réseaux neuronaux Flashs réactifs (QP, TP) Échangeurs de chaleur Contacteur membranaire Mélangeurs Changement de pression : vanne, pompe, compresseur Séparateurs de courants Colonne de stripage Colonne de stripage avec réseaux neuronaux FIGURE E.2.: Arborescence du projet et rôle de chaque fichier (hors bibliothèques numériques) ANNEXE F

@. T. Neveux, Y. Le-moullec, J. Corriou, and E. , FAVRE : Modeling CO 2 capture in amine solvents : prediction of performance and insights on limiting phenomena, Liste de communications Publications dans des revues internationales avec comité de lecture, pp.52-4266, 2013.

@. T. Communications-dans-des-congrès-internationaux-avec-comité-de-sélection, Y. Neveux, J. Le-moullec, and E. Corriou, FAVRE : A rigorous optimization method of operating parameters for amine-based CO 2 capture processes, Poster présenté au congrès International Conference on Greenhouse Gas Technologies (GHGT'11), pp.18-22

@. C. Tong, C. Cebamanos-perez, J. Chen, J. C. Valle-marcos, T. Neveux et al., Measurement and calculation of CO 2 solubility and absorption kinetic rate in aqueous solutions of TEDA and DMEA, Poster présenté au congrès International Conference on Greenhouse Gas Technologies (GHGT'11), pp.18-22

@. T. Neveux, Y. Le-moullec, J. Corriou, and E. Favre, Interaction between process architecture and solvent properties for amine-based CO 2 capture, Conférence orale au congrès 2 nd Post Combustion Capture Conference (PCCC'2), pp.17-20

@. T. Neveux, Y. Le-moullec, J. Corriou, and E. Favre, Energy performance of CO 2 capture processes : interaction between process design and solvent, Conférence orale au congrès 16 th Conference Process Integration, Modelling and Optimisation for Energy Saving and Pollution Reduction (PRES'13), pp.29-31

@. T. Neveux, C. Castel, Y. Le-moullec, and E. Favre, Investigating the impact of non-isothermal behavior and the role of water transfer in membrane contactors for CO 2 capture, Conférence orale au congrès 2013 AIChE Annual Meeting, pp.3-8