Integrating rate based models into multi-objective optimisation of process designs using surrogate models
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The possibility to increase the performance (productivity or selectivity) of a chemical reactor by using periodic variations of reaction parameters (e.g. reactant concentration or temperature) has been theoretically envisaged since the beginning of the 70t ...
Many of the complex physical processes relevant for compositional multi-phase flow in porous media are well understood at the pore-scale level. In order to study CO2 storage in sub-surface formations, however, it is not feasible to perform simulations at t ...
The relative basicities of aryllithiums bearing methoxy, chlorine, fluorine, trifluoromethyl and trifluoromethoxy substituents at the ortho, meta, and para positions have been assessed. To this end, two aryllithiums of comparable basicity were equilibrated ...
We discuss the problem of full counting statistics for periodic pumping. The probability generating function is usually defined on a circle of the "physical" values of the counting parameter, with its periodicity corresponding to charge quantization. The e ...
With an annual worldwide production well in excess of 100 million metric tons, synthetic polymers constitute a significant part of the modern chemical process industry. Polymer reactors - operated in continuous, batch, or semibatch mode - are therefore imp ...
With the aid of molecular simulation techniques (molecular dynamics, grand-canonical Monte Carlo, and reactive flux correlation function RFCF), the influence of the external surface on the equilibrium permeation of methane and ethane into and out of an AFI ...
The European railway sector has undergone major transformations over the past two decades. Domestic reforms have been buttressed by European directives aimed at creating a single European railway market. In this new environment roles have been significantl ...
Two biomass gasification concepts, i.e. indirectly heated, steam blown fluidised bed gasification and directly heated, air blown fixed bed gasification are modelled with adjusted equilibrium equations, their energy requirements are integrated and an exergy ...
A three dimensional chemical transport model (PMCAMx) is applied to the Mexico City Metropolitan Area (MCMA) in order to simulate the chemical composition and mass of the major PM1 (fine) and PM1-10 (coarse) inorganic components and determine the effect of ...
We report the observation of well-resolved A and B excitonic resonances in the reflectivity spectra of a wedged GaN/AlGaN quantum well (QW) with 5% Al content in the barriers for different well thicknesses. For the thicker well cases, the energy splitting ...