Search Results - "Fayet, Guillaume"
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Mixture Descriptors toward the Development of Quantitative Structure–Property Relationship Models for the Flash Points of Organic Mixtures
Published in Industrial & engineering chemistry research (01-07-2015)“…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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2
Impact of the chemical structure on amphiphilic properties of sugar-based surfactants: A literature overview
Published in Advances in colloid and interface science (01-08-2019)“…In this review, structure-property trends are systematically analyzed for four amphiphilic properties of sugar-based surfactants: critical micelle…”
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3
Theoretical and Experimental Study of the Reaction between Ammonium Nitrate and Sodium Salts
Published in Industrial & engineering chemistry research (30-11-2016)“…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
On the hazard investigation of polymerizing substances through experimental methods and theoretical chemistry
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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Toward the Mechanistic Understanding of the Additives’ Role on Ammonium Nitrate Decomposition: Calcium Carbonate and Calcium Sulfate as Case Studies
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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Investigation of ammonium nitrate contaminants based on computational chemistry approach
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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Assessing the flammability of liquid mixtures by predictive approach as a complement to experimental measurements
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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QSPR Model for Regulatory Purpose: from Development to Integration into the QSAR Toolbox
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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Predicting the Thermal Stability of Nitroaromatic Compounds Using Chemoinformatic Tools
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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Proposal of a new risk assessment method for the handling of powders and nanomaterials
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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Safety Issues Related to Stationary Electrochemical Energy Storage on Industrial Sites
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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Molecular Modeling as a Complementary Approach of Experimental Evaluation of Incompatibilities of Ammonium Nitrate
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
Chemoinformatics for the Safety of Energetic and Reactive Materials at Ineris
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
New QSPR Models to Predict the Flammability of Binary Liquid Mixtures
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
Investigating the impact of sugar-based surfactants structure on surface tension at critical micelle concentration with structure-property relationships
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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16
How to use QSPR-type approaches to predict properties in the context of Green Chemistry
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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Development of simple QSPR models for the impact sensitivity of nitramines
Published in Journal of loss prevention in the process industries (01-07-2014)“…Quantitative structure–property relationships represent a powerful method alternative to experiments to access the estimation of physico-chemical properties of…”
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First QSPR models to predict the thermal stability of potential self-reactive substances
Published in Process safety and environmental protection (01-07-2022)“…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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A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes
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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New QSPR Models to Predict the Critical Micelle Concentration of Sugar-Based Surfactants
Published in Industrial & engineering chemistry research (16-11-2016)“…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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