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Experimental Method to Distinguish between a Solution and a Suspension

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In the context of modelling biomass conversion processes, the accurate representation of biomass, which is a complex and highly variable material, is of crucial importance. This study provides a rather simple and flexible way to represent biomass, especial ...

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First principles computational chemistry predictions of equilibrium and kinetic constants for electrophilic reactions in water

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Aqueous electrophilic reactions are broadly important in environmental chemistry, but the thermodynamic equilibrium constants, rate constants, and mechanisms describing these reactions are often difficult to determine by experiment. Here we report on our e ...

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The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This makes solidification happen below the melting temperature, in out-of-equili ...

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Substituent effects on the relative rates and free energies of ortho-lithiation reactions: families of fluorobenzenes as the substrates

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When adsorbing guest molecules, the porous metal-organic framework MIL-53(Cr) may vary its cell parameters drastically while retaining its crystallinity. A first approach to the thermodynamic analysis of this "framework breathing" consists of comparing the ...

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Multi-objective optimisation (MOO) of super-structured process designs are expensive in CPU- time because of the high number of potential configurations and operation conditions to be calculated. Thus single process units are generally represented by simpl ...

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, , ,

A comprehensive particle size distribution model has been developed for the simulation of gamma' precipitation in multicomponent Ni alloys. Nucleation, growth and coarsening of the precipitates are described by a particle size distribution. The growth rate ...

Elsevier2013

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