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Glycerol acetals and ketals as bio-based solvents: positioning in Hansen and COSMO-RS spaces, volatility and stability towards hydrolysis and autoxidation
Four recently launched cyclic glycerol acetals or ketals are evaluated as bio-based solvents. Three of them are industrially available and result from the condensation of glycerol with formaldehyde,Expand
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Computer Aided Aroma Design. I - Molecular Knowledge Framework
Computer Aided Aroma Design (CAAD) is likely to become a hot issue as the REACH EC document targets many aroma compounds to require substitution. The two crucial steps in CAMD are the generation ofExpand
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Systematic design of an extractive distillation for maximum‐boiling azeotropes with heavy entrainers
Extractive distillation is one of the most attractive approaches for separating azeotropic mixtures. Few contributions have been reported to design an extractive distillation for separatingExpand
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Prediction of Miscible Mixtures Flash-point from UNIFAC group contribution methods
Abstract Flash point is one of the most important variables used to characterize fire and explosion hazard of liquids. This paper predicts the flash point of miscible mixtures by using the flashExpand
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HIx system thermodynamic model for hydrogen production by the Sulfur–Iodine cycle
Abstract The HI x ternary system (H 2 O–HI–I 2 ) is the latent source of hydrogen for the Sulfur–Iodine thermo-chemical cycle. After analysis of the literature data and models, a homogeneous approachExpand
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Extractive Distillation Process Optimisation of the 1.0-1a Class System, Acetone - methanol with Water
The optimal design of an extractive distillation column and entrainer regeneration column sequence is studied with a MINLP method. The objective function minimizes the energy consumption per productExpand
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Reducing process cost and CO2 emissions for extractive distillation by double-effect heat integration and mechanical heat pump
Double-effect heat integration and mechanical heat pump technique are investigated for the extractive distillation process of the acetone–methanol minimum boiling azeotropic mixture with entrainerExpand
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Computer Aided Aroma Design. II. Quantitative structure-odour relationship
Abstract Computer-aided aroma design (CAAD) is likely to become a hot issue as the REACH EC document targets many aroma compounds to require substitution. The two crucial steps in computer-aidedExpand
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An integrated framework for product formulation by computer aided mixture design
TLDR
Computer-Aided Mixture Design using an evolutionary genetic algorithm was used to find substitutes to blanket wash solvent in lithographic printing process. Expand
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Soft-SAFT modeling of vapor–liquid equilibria of nitriles and their mixtures
Abstract Nitriles are strong polar compounds showing a highly non-ideal behavior, which makes them challenging systems from a modeling point of view; in spite of this, accurate predictions for theExpand
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