Search Results - "Fayet, Guillaume"

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  1. 1

    Mixture Descriptors toward the Development of Quantitative Structure–Property Relationship Models for the Flash Points of Organic Mixtures by Gaudin, Théophile, Rotureau, Patricia, Fayet, Guillaume

    “…Quantitative structure–property relationships (QSPRs) are increasingly used for the prediction of physicochemical properties of pure compounds, but only a few…”
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    Theoretical and Experimental Study of the Reaction between Ammonium Nitrate and Sodium Salts by Cagnina, Stefania, Rotureau, Patricia, Singh, Shanti, Turcotte, Richard, Fayet, Guillaume, Adamo, Carlo

    “…Hazards posed by chemical incompatibility, especially in a large-scale industrial environment, warrant a deeper understanding of the mechanisms of the…”
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  4. 4

    On the hazard investigation of polymerizing substances through experimental methods and theoretical chemistry by Guillaume Fayet, Patricia Rotureau, Patricia Vicot

    Published in Chemical engineering transactions (01-05-2022)
    “…Polymerizing substances can undergo strongly exothermic reactions under specific conditions such as transport. For this reason, they are considered under…”
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  5. 5

    Toward the Mechanistic Understanding of the Additives’ Role on Ammonium Nitrate Decomposition: Calcium Carbonate and Calcium Sulfate as Case Studies by Menicacci, Eleonora, Rotureau, Patricia, Fayet, Guillaume, Adamo, Carlo

    Published in ACS omega (17-03-2020)
    “…The reaction mechanism involved in the decomposition of ammonium nitrate (AN) in the presence of CaCO3 and CaSO4, commonly used for stabilization and the…”
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  6. 6

    Investigation of ammonium nitrate contaminants based on computational chemistry approach by Eleonora Menicacci, Patricia Rotureau, Guillaume Fayet, Carlo Adamo

    Published in Chemical engineering transactions (01-09-2019)
    “…Ammonium nitrate (AN) was involved in a number of major accidents in the last century. Safety issues related to the use of ammonium nitrate is far from being…”
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  7. 7

    Assessing the flammability of liquid mixtures by predictive approach as a complement to experimental measurements by Guillaume Fayet, Patricia Rotureau, Benoit Tribouilloy

    Published in Chemical engineering transactions (01-09-2019)
    “…The flammability of organic mixtures can be dramatically changed upon concentrations and can reveal, in some cases, more flammable than its components taken as…”
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  8. 8

    QSPR Model for Regulatory Purpose: from Development to Integration into the QSAR Toolbox by Guillaume Fayet, Patricia Rotureau

    Published in Chemical engineering transactions (01-01-2016)
    “…Quantitative Structure-Property Relationships (QSPR) are predictive methods of macroscopic properties of substances based on their only molecular structures…”
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  9. 9

    Predicting the Thermal Stability of Nitroaromatic Compounds Using Chemoinformatic Tools by Fayet , Guillaume, Del Rio, Alberto, Rotureau, Patricia, Joubert, Laurent, Adamo, Carlo

    Published in Molecular informatics (01-06-2011)
    “…In the framework of the European REACH regulation major attention was recently devoted to toxicological and ecotoxicological problems while little attention…”
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  10. 10

    Proposal of a new risk assessment method for the handling of powders and nanomaterials by GRIDELET, Laurent, DELBECQ, Philippe, HERVÉ, Laurent, BOISSOLLE, Pierre, FLEURY, Dominique, KOWAL, Sophie, FAYET, Guillaume

    Published in Industrial Health (01-01-2015)
    “…A new approach to assess the risks inherent in the implementation of powders, including nanomaterials, has been developed, based on the OHB (Occupational…”
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  11. 11

    Safety Issues Related to Stationary Electrochemical Energy Storage on Industrial Sites by Marion Demeestere, Amandine Lecocq, Guillaume Fayet

    Published in Chemical engineering transactions (01-01-2016)
    “…The present contribution discusses the safety issues related to stationary applications of electrochemical energy storage on hazardous industrial plants…”
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  12. 12

    Molecular Modeling as a Complementary Approach of Experimental Evaluation of Incompatibilities of Ammonium Nitrate by Patricia Rotureau, Stefania Cagnina, Guillaume Fayet, Carlo Adamo

    Published in Chemical engineering transactions (01-01-2016)
    “…The serious potential consequences of the hazards posed by ammonium nitrate (AN) incompatibility (as the increase of explosive properties) provide motivation…”
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  13. 13

    Chemoinformatics for the Safety of Energetic and Reactive Materials at Ineris by Fayet, Guillaume, Rotureau, Patricia

    Published in Molecular informatics (01-01-2022)
    “…The characterization of physical hazards of substances is a key information to manage the risks associated to their use, storage and transport. With decades of…”
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  14. 14

    New QSPR Models to Predict the Flammability of Binary Liquid Mixtures by Fayet, Guillaume, Rotureau, Patricia

    Published in Molecular informatics (01-08-2019)
    “…New Quantitative Structure‐Property Relationships (QSPR) are presented to predict the flash point of binary liquid mixtures, based on more than 600…”
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  15. 15

    Investigating the impact of sugar-based surfactants structure on surface tension at critical micelle concentration with structure-property relationships by Gaudin, Théophile, Rotureau, Patricia, Pezron, Isabelle, Fayet, Guillaume

    Published in Journal of colloid and interface science (15-04-2018)
    “…[Display omitted] Surface tension of aqueous solutions of surfactants at their critical micelle concentrations (γCMC), may be quantitatively linked to the…”
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    How to use QSPR-type approaches to predict properties in the context of Green Chemistry by Fayet, Guillaume, Rotureau, Patricia

    Published in Biofuels, bioproducts and biorefining (01-11-2016)
    “…Green Chemistry is an active field of chemical research in which the ultimate targets are to promote high‐value, safe, clean products from renewable resources…”
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  17. 17

    Development of simple QSPR models for the impact sensitivity of nitramines by Fayet, Guillaume, Rotureau, Patricia

    “…Quantitative structure–property relationships represent a powerful method alternative to experiments to access the estimation of physico-chemical properties of…”
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  18. 18

    First QSPR models to predict the thermal stability of potential self-reactive substances by Fayet, Guillaume, Knorr, Annett, Rotureau, Patricia

    “…Self-reactive substances are unstable chemical substances which can easily decompose and may lead to explosion in transport, storage, or process situations…”
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  19. 19

    A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes by Nieto-Draghi, Carlos, Fayet, Guillaume, Creton, Benoit, Rozanska, Xavier, Rotureau, Patricia, de Hemptinne, Jean-Charles, Ungerer, Philippe, Rousseau, Bernard, Adamo, Carlo

    Published in Chemical reviews (23-12-2015)
    “…This document aims at reviewing the molecular modeling approaches available as a fast and reliable alternative approach to experiments for the physicochemical…”
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  20. 20

    New QSPR Models to Predict the Critical Micelle Concentration of Sugar-Based Surfactants by Gaudin, Théophile, Rotureau, Patricia, Pezron, Isabelle, Fayet, Guillaume

    “…Sugar-based surfactants represent a fruitful field of research in the context of sustainable chemistry since they can be obtained from renewable resources. In…”
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