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Parameters affecting thermal risk through a kinetic model under adiabatic condition: Application to liquid-liquid reaction system

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Nowadays, the production in fine chemical and pharmaceutical industry is mostly carried out in large scale batch reactors having typically dimensions of a few meters to satisfy the demand of the market. Even though this technology has been widely used and ...

EPFL2013

Incremental Model Identification of Fluid-Fluid Reaction Systems – Dynamic Accumulation and Reactions in the Diffusion Layer

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

The identification of kinetic models is an important step for the monitoring, control and optimization of industrial processes. This is particularly the case for highly competitive business sectors such as chemical and pharmaceutical industries, where the ...

2013

Chapter 6. ...

John Wiley & Sons, Inc.2013

Kinetic and thermodynamic study of the aqueous Kolbe–Schmitt synthesis of beta-resorcylic acid

Albert Renken, Lioubov Kiwi, Charline Berguerand, Anne-Laure Dessimoz

Detailed thermodynamic and kinetic study of the aqueous Kolbe-Schmitt synthesis of beta-resorcylic acid has been carried out in a laboratory-scale batch reactor operated under ambient pressure. The dependence of the conversion on partial pressure of carbon ...

Elsevier2012

Epoxidized soybean oil (ESBO) is produced in industry by reacting soybean oil, at 60-70 degrees C, with hydrogen peroxide in the presence of formic or acetic acid. A small amount of sulphuric or phosphoric acid is necessary to catalyze the oxidation of the ...

2012

Stability of a leakage pathway in a cemented annulus

Brice Tanguy Alphonse Lecampion

The risk minimization of carbon dioxide (CO2) storage relies to some extent on well integrity assurance. While chemical reactions between the constitutive materials of the wellbore - such as cement - and stored CO 2 do not jeopardize the efficiency of a de ...

2011

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The identification of reaction kinetics involves the determination of a model structure (reaction stoichiometry, rate laws for all reactions) and its corresponding parameters from experimental data. An incremental identification approach for determining th ...

2011

Micro-mechanical modelling of alkali-silica-reaction-induced degradation using the AMIE framework

Karen Scrivener, Cyrille Dunant

AMIE. a finite element/extended finite element framework, has been designed to provide the tools to run detailed microstructural simulations; this paper demonstrates the possibility of simulating the mechanisms underlying the alkali-silica-reaction (ASR). ...

2010

Non-adiabatic coupling vectors within linear response time-dependent density functional theory

Ursula Röthlisberger, Ivano Tavernelli, Enrico Marko Tapavicza

A method is developed to compute the nonadiabatic coupling vectors (NACVs) between electronic ground and excited states as well as between any possible pair of excited states within the framework of linear response time-dependent density functional theory ...

2009

Adiabaticity plays a central role in modern magnetic resonance experiments, as excitations with adiabatic Hamiltonians allow precise control of the dynamics of the spin states during the course of an experiment. Surprisingly, many commonly used adiabatic p ...

AMER INST PHYSICS2008