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 ...
A Finite Element Analysis on the Modeling of Heat Release Rate, as Assessed by a Cone Calorimeter, of Char Forming Polycarbonate
D. Statler, and R. Gupta
Mid-Atlantic Technology, Research and Innovation Center, South Charleston, WV, USA
Department of Chemical Engineering, West Virginia University, Morgantown, WV, USA
During the pyrolysis and combustion of polymers, heat is released and is typically measured with a cone calorimeter to better assess the polymer’s flammability. Modeling heat release rate, as assessed by cone calorimetry, has not been extensively studied for char-forming polymers, such as, polycarbonate. Here we determine the heat release rate with the help of a one-dimensional transient finite ...
B. Srinivasan, J. Hickman, M. Shuler
University of Central Florida, Orlando, FL, USA
Cornell University, Ithaca, NY, USA
A micropump delivers fluid between different components of a microfluidic device in a controlled manner. The elimination of micropump can reduce the design complexity, simplify fabrication, shrink the device footprint and decrease the set-up time required for the operation of the microfluidic device. One such pumpless microfluidic device for body-on-a-chip application for drug toxicity studies ...
Modeling and Simulation of Membrane Contactor Employed to Strip CO2 from Rich Solvents via COMSOL Multiphysics®
N. Ghasem, M. Al-Marzouqi, N. A. Rahim
United Arab Emirates University, Al-Ain, United Arab Emirates
A mathematical model is developed for the stripping of CO2 from rich solvent. The rich solvent (aqueous NaOH) is used in CO2 absorption from natural gas through gas-liquid hollow fiber membrane contactor. The polyvinylidene fluoride (PVDF) hollow fiber membrane was fabricated via thermally induced phase separation techniques. COMSOL Multiphysics software package is used in solving the set of ...
Design and Characterization of a Small Volume Reactor for the High Pressure Invacuo Study of Catalytic Surface Reactions
C. Clark[1,2], J. Fulton, T. Adams, E. Podgornov, and F. Zaera
Department of Chemical and Environmental Engineering, University of California, Riverside, CA, USA
Naval Surface Warfare Center, Corona, CA, USA
Naval Surface Warfare Center, Crane, IN, USA
Department of Chemistry, University of California, Riverside, CA, USA
The design and construction of ultra-high vacuum (UHV) systems for the study of surface reactions has lead to high impact innovation in a myriad of industries. A small volume reactor compatible with ultrahigh vacuum (UHV) surface-science instrumentation has been designed, modeled and tested for the study of the kinetics of surface chemical reactions on single crystals. CO oxidation experiments ...
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 ...
Evaluation of Performance of Enzymatic Biofuel Cells with Microelectrode Arrays Inside a Blood Artery via Finite Element Approach
C. Wang, Y. Song
Florida International University, Miami, FL, USA
Enzymatic biofuel cells (EBFCs) are considered as a promising candidate for powering miniature implantable devices. In order to predict the performance in the human blood artery, we simulated a 3D EBFC chip with highly dense micro-electrode arrays. In this simulation using COMSOL Multiphysics®, we applied the 1) Michaelis Menten equation; 2) Nernst potential equation; 3) Navier Strokes velocity, ...
B. Castro-Dominguez, R. Ma, A. G. Dixon, Y. H. Ma
Chemical Engineering Department, Worcester Polytechnic Institute, Worcester, MA, USA
The optimization of operating conditions in multitube membrane modules is highly complex. The multiple physics and irregular geometries involved create a challenge for predicting their behavior. This work analyzes the performance of H2 purification through a module containing seven membranes. Using experimental parameters, a 3-D model was devised, specifying the membrane as a reacting boundary ...
Numerical Modeling of the Original and Advanced TEMKIN Reactor for Catalysis Experiments in Laboratory Scale
D. Götz, M. Kuhn, P. Claus
Ernst-Berl-Institute/Chemical Technology II, Darmstadt, Germany
Many industrial, especially heterogeneously catalysed, processes are characterised by a strong interaction between the reaction kinetics and transport phenomena. Because experiments in laboratory scale can be very time- and cost-intensive, Temkin andKul’kova developed a new reactor design for the direct testing of industrial catalysts. Based on this concept of linearly alternating catalyst ...
M. Yeoman, R. Damodharan
Continuum Blue Ltd., Ystrad Mynach, UK
The application of super-alloys has grown up in numbers in the industries like aerospace, automotive, nuclear, thermal power plant & medical implants. The initial cost of prototyping and the selection of suitable manufacturing methods & test fixtures made by electrochemical machining (ECM) has proven to be expensive process especially where tolerances are extremely tight on the nanometre scale. ...