Solvay

About: Solvay is a company organization based out in Brussels, Belgium. It is known for research contribution in the topics: Catalysis & Polymer. The organization has 6083 authors who have published 7004 publications receiving 105745 citations.

In Silico Screening of Iron-Oxo Catalysts for CH Bond Cleavage

Abstract: Inspired by oxidation enzymes such as P450 and TauD, several groups have based their research on the iron–oxo moiety in the field of alkanes partial oxidation. Still, the controlled cleavage and oxidation of the aliphatic C–H bond remains a prized goal in chemistry. We present here a computational methodology to predict the comparative reactivity of iron–oxo complexes for this process from linear relations based on the sole electronic structure of the reactant state. The efficient correlation of the C–H activation barrier to a simple but intuitive molecular orbital descriptor enables the design of ligands that permit low barrier C–H abstraction steps and the fast screening of novel potential complexes. The activation of the catalyst by a multidentate effect is also evidenced. We anticipate this study to improve the rational design of hydrocarbon oxidation catalysts.

Method for making a chlorohydrin

Abstract: The invention concerns a method for making a chlorohydrin including the following steps: (a) reacting a polyhydroxylated aliphatic hydrocarbon, an ester of polyhydroxylated hydrocarbon, or a mixture thereof, and a chlorinating agent and an organic acid to obtain a mixture containing chlorohydrin and chlorohydrin esters; (b) subjecting at least part of the mixture obtained at step (a) to one or more treatments in steps subsequent to step (a); (c) adding polyhydroxylated aliphatic hydrocarbon at least at one of the steps subsequent to step (a), so that it reacts, at a temperature not less than 20 °C, with the chlorohydrin esters so as to form at least partly polyhydroxylated aliphatic hydrocarbon esters.

Method for removing chlorate ions from solutions

Abstract: The invention relates to a method for removing chlorate ions from solutions by means of catalytic treatment in the presence of hydrogen. According to the invention a rhodium and/or platinum catalyst is used. The choice of catalyst carrier depends on the amount of coadsorbents contained in the solution. The carrier material, which may be oxidic or non-oxidic, should also be easily wettable.

Mixtures of fluoropolymer dispersion

Abstract: Mixtures of fluoropolymer dispersions comprising: a) one or more dispersions constituted by TFE homopolymers or by its copolymers with particle average sizes ranging from 180 to 400 nm; b) one or more TFE copolymer dispersions with one or more monomers containing at least one ethylene unsaturation, the comonomer amount being such that the dispersion contains a number of fibrils lower than 10% of the total number of particles; said fibrils being polymer particles having a length/diameter (L/D) ratio higher than 5; the dispersion particle average sizes are smaller of about 90 nm; the component b) contains a comonomer amount such that the resulting polymer is not elastomeric and furthermore it shows composition and viscosity characteristics of the melt such as not to be thermoprocessable.