Uncertainties and error propagation in kinetic hard-modelling of spectroscopic data
Graph Chatbot
Chat with Graph Search
Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.
The present article describes the preliminary validation study of simulated in-core and reflector n eutron spectra in preparation of oncoming experimental programs in the zero-power reactor CROCUS at EPFL. For this purpose, a set of activation foils were i ...
Although electron transfer reactions at liquid liquid interfaces have been thoroughly studied in the presence of deliberately added potential determining ions or phase transfer catalysts, little is known about these reactions in the absence of the above sp ...
Dissolved Organic Matter (DOM) is a complex mixture of thousands of organic molecules ubiquitously present in surface waters. Its influence on the photodegradation of organic contaminants is a complicated topic. For decades DOM had been mostly assumed to h ...
In the present study, we propose a new photocatalytic interface prepared by high-power impulse magnetron sputtering (HiPIMS), and investigated for the degradation of Reactive Green 12 (RG12) as target contaminant under visible light light-emitting diodes ( ...
The electron self-exchange reaction FeCl(OH2)(5)(2+) + Fe(OH2)(6)(2+) -> Fe(OH2)(6)(2+) + FeCl(OH2)(5)(2+), proceeding via the inner-sphere pathway, was investigated with quantum chemical methods. Geometry and vibrational frequencies of the precursor/succe ...
Investigating the effect of isotope substitution on equilibrium and kinetic properties of molecules has become an important tool for estimating the importance of nuclear quantum effects. In this work, we discuss calculating both equilibrium and kinetic iso ...
The electron self-exchange reaction CrCl(OH2)5(2+) + Cr(OH2)6(2+) -> Cr(OH2)(6)(2+) + CrCl(OH2)(5)(2+), proceeding via the inner-sphere pathway, was investigated with quantum-chemical methods. Geometry and vibrational frequencies of the precursor/successor ...
Aromatic amines are aquatic contaminants for which phototransformation in surface waters can be induced by excited triplet states of dissolved organic matter ((DOM)-D-3*). The first reaction step is assumed to consist of a one-electron oxidation process of ...
Extent-based kinetic identification is a modeling technique that uses number of moles / concentrations measurements to compute extents and identify reaction kinetics (partial orders of reactions and reaction rate constant) by the integral method of paramet ...
The identification of kinetic models is an important step for the monitoring, control and optimization of chemical processes. Kinetic models are often based on first principles that describe the evolution of concentrations by means of conservation and cons ...