Concept
Reaction progress kinetic analysis
Publications associées (346)
Kinetic isotope effects and how to describe them
Jiri Vanicek, Konstantin Karandashev
We review several methods for computing kinetic isotope effects in chemical reactions including semiclassical and quantum instanton theory. These methods describe both the quantization of vibrational modes as well as tunneling and are applied to the ⋅H + H ...
2017A computer-based prediction platform for the reaction of ozone with organic compounds in aqueous solution: kinetics and mechanisms
Urs von Gunten, Minju Lee, Kathrin Fenner
Ozonation of secondary wastewater effluents can reduce the discharge of micropollutants by transforming their chemical structures. Therefore, a better understanding of the formation of transformation products during ozonation is important. In this study, a ...
Royal Soc Chemistry2017Synthetic Calcium Silicate Hydrates
Since the introduction of cementitious materials over 200 years ago, its use has multiplied many fold to be currently at 3 billion tonnes per year, accounting for about 8% of worldwide carbon emission which is forecast to double within the next 30 years. U ...
EPFL2017Kinetics of Photoelectrochemical Oxidation of Methanol on Hematite Photoanodes
Florian Le Formal, Matthew Thomas Mayer, Yimeng Ma
The kinetics of photoelectrochemical (PEC) oxidation of methanol, as a model organic substrate, on alpha-Fe2O3 photoanodes are studied using photoinduced absorption spectroscopy and transient photocurrent measurements. Methanol is oxidized on alpha-Fe2O3 t ...
American Chemical Society2017Deciphering ambiguous control over fluxes through characterization and reduction of uncertainty
Vassily Hatzimanikatis, Ljubisa Miskovic, Michaël Roger Germain Moret
The development of kinetic models is still facing the challenges such as large uncertainties in available data. Uncertainty originating from various sources including metabolite concentration levels, flux values, thermodynamic and kinetic data propagates t ...
2017Water Oxidation Kinetics of Accumulated Holes on the Surface of a TiO2 Photoanode: A Rate Law Analysis
Florian Le Formal, Yimeng Ma, Min Ling
It has been more than 40 years since Fujishima and Honda demonstrated water splitting using TiO2, yet there is still no clear mechanism by which surface holes on TiO2 oxidize water. In this paper, we use a range of complementary techniques to study this re ...
Amer Chemical Soc2017Technical and experimental features of Magnetic Resonance Spectroscopy of brain glycogen metabolism
Rolf Gruetter, Hongxia Lei, Ana Francisca Leal Silva Soares
In the brain, glycogen is a source of glucose not only in emergency situations but also during normal brain activity. Altered brain glycogen metabolism is associated with energetic dysregulation in pathological conditions, such as diabetes or epilepsy. Bot ...
Elsevier2017Self-assembly of micro/nanosystems across scales and interfaces
Steady progress in understanding and implementation are establishing self-assembly as a versatile, parallel and scalable approach to the fabrication of transducers. In this contribution, I illustrate the principles and reach of self-assembly with three app ...
IEEE2017Phototransformation of Acesulfame K in surface waters: Comparison of two techniques for the measurement of the second-order rate constants of indirect photodegradation, and modelling of photoreaction kinetics
By use of photochemical modelling we show that acesulfame K (ACE) can undergo photodegradation in surface waters, mainly by reaction with (OH)-O-center dot and possibly (CDOM)-C-3* (the triplet states of chromophoric dissolved organic matter). With the pos ...
Elsevier2017Kinetic considerations of two Sulfurospirillum spp. competing for tetrachloroethene
Christof Holliger, Julien Maillard, Géraldine Florence Buttet, Alexandra Marie Murray, Mélissa Burion
1 Laboratory for Environmental Biotechnology, ENAC-IIE-LBE, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 2 DTU Environment, Department of Environmental Engineering, Technical University of Denmark, Lyngby, Denmark A well-establish ...
2017