Quantitative assessment of the difference in free standard energy of reaction between two enantiomers of a chiral molecule and a chiral surface using a convection-diffusion model coupled to surface reactions
Bieri, M., Bürgi, T.
Université de Neuchâtel, Neuchâtel, Switzerland
Chiral surfaces and interfaces have received considerable interest in recent years due to their importance in separationand sensing of enantiomers, their application in heterogeneous enantioselective catalysis and their possibly decisive role for the origin of biochemical homochirality. In the present work, the interaction of proline with self-assembled monolayers (SAMs) of L-glutathione was ...
IFP, Lyon, Vernaison, France
In a search of concepts for innovative reactors allowing CO2 capture in gas turbine, monolith based chemical looping combustion has been identified as a promising concept. A precise simulation of the chemical looping combustion in a channel of monolith is developed to define the design rules and the material specifications. The objective is also to evaluate this innovative process in terms of ...
A. Machac , R. Henda , and B. Nilsson 
 School of Engineering, Laurentian University, Sudbury, ON, Canada
 Lund University, Sweden
Heat and mass transport phenomena in a tubular catalytic bed reactor are numerically investigated. A two-dimensional pseudo-heterogeneous model, accounting for transport in the solid and fluid phases, with axial and radial dispersions, is used to describe the reactor. The calculation results show the development of a hot spot in the reactor. The effects of inlet process conditions are ...
Humboldt Universität Berlin, IGB, Berlin, GERMANY
In vielen Berechnungen des Umweltschutzes, der chemischen Verfahrenstechnik, der Energietechnik und weiteren Bereichen von Wissenschaft und Technik, spielen Transport- und Reaktionsprozesse gleichermaßen eine Rolle. Aufgrund der Wechselwirkung zwischen Transport und Reaktion ist das Verständnis derartiger Systeme schwierig. In der Regel werden daher Modelle eingesetzt, um derartige Situationen ...
Simulation of Differential Ion Mobility (DMS) Principle Coupled with Mass Spectrometry in Atmospheric Pressure
F. Sinatra, T. Wu, A. Avila, E. Nazarov, T. Evans-Nguyen, J. Wang
Draper Laboratory, Tampa, FL, USA
University of South Florida, Tampa, FL, USA
Mass spectrometry is an analytical technique widely used in the scientific community to determine chemical composition of sample compounds. Typically, mass spectrometers perform their analysis under vacuum conditions, though atmospheric pressure mass spectrometers are becoming more prevalent. With the development of atmospheric pressure mass spectrometers, techniques such as FAIMS (Field ...
J. Knox, R. Coker, R. Cummings, C. Gomez, G. Schunk
NASA, Marshall Space Flight Center, Huntsville, AL, USA
Some NASA efforts are focused on improving current systems that utilize fixed beds of sorbent pellets by evaluating structured sorbents, seeking more robust pelletized sorbents, and examining alternate bed configurations to improve system efficiency and reliability. For the bulk separation of CO2 and H2O, temperature changes due to the heat of adsorption are significant, requiring modeling and ...
A theoretical and experimental analysis of membrane bioreactors behavior in unsteady-state conditions
Department of Chemical Engineering and Materials University of Calabria, Rende (CS), ITALY
The behavior of hollow fiber membrane bioreactors operating in recycle configuration is characterized from both theoretical and experimental point of view. The theoretical model is based on the unsteady-state balance equations governing momentum and mass transfer within the regions that can be identified in a hollow fiber reacting system with immobilized enzyme, coupled to the unsteady-state mass ...
C. Bayer, S. Stiefel, M. Follmann, and T. Melin
AVT Chemical Process Engineering, RWTH Aachen University, Aachen, Germany
Reactive extraction of organic acids from an aqueous solution to an alkaline stripping fluid is based on a selective barrier allowing permeation of non-polar molecules, which subsequently react with the stripping agent. The shift from the organic acid to its base induced by the chemical equilibrium enhances mass transfer inside the membrane’s porous substructure. A model of the porous layer ...
C. K. Subramaniam, Muthuraja
School of Electronics Engineering, VIT University, Vellore, Tamil Nadu, India
The Direct Methanol Fuel Cell (DMFC) working is dependent on the concentration of methanol in water before it is introduced in the anode. DMFC has a high energy density when generating electrical power from fuel, and is an attractive power source for portable devices. A fundamental limitation in DMFC technology is methanol crossover. In this process methanol diffuses from the anode through the ...
Radulescu, C., Chicina, A.
The subject of our study belongs to the large area of studies about the analyze and the prediction of indoor air quality. One of the actual weaknesses for the appreciations of air indoor quality is the lack off knowledge about the interactions between the pollutants and the materials (emission off VOC, adsorption). Knowing the behavior of construction materials we can figure out the possibility ...