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Efficiently Solving the Stochastic Reaction-Diffusion Master Equation in C++ with the COMSOL Multiphysics® Software

L. A. Widmer [1], J. Stelling [1],
[1] Department of Biosystems Science and Engineering, ETH Zürich and Swiss Institute of Bioinformatics, Basel, Switzerland

We demonstrate a simulation engine using COMSOL® and MATLAB® software that is able to simulate stochastic reaction-diffusion models in the reaction-diffusion master equation framework. We use this engine to construct models of budding yeast cells with embedded microtubules, interfacing stochastic microtubule dynamics with spatiotemporal signaling networks acting during mitosis. Our simulation ...

A Modified Koutecký-Levich Equation for the Analysis of Electrochemical Flow Cells with Complex Geometries

S. A. Tschupp [1], S. E. Temmel [1], N. Poyatos Salguero [1], J. Herranz [1], T.J. Schmidt [2],
[1] Paul Scherrer Institut, Villigen, Switzerland
[2] ETH Zürich, Zürich, Switzerland

Electrochemical flow cells have found widespread use in analytical chemistry due to their short response time, high sensitivity and selectivity. The geometrical flexibility and therefore, the ease of coupling the electrochemical to other experimental techniques has attracted considerable interest for applications in electrocatalytic research as well. Such coupling is far more cumbersome with the ...

Model Development and Implementation of a Membrane Shift Reactor

J. Völler[1], M. Follmann[1], C. Bayer[1], and T. Melin[1]

[1]AVT Chemical Process Engineering, RWTH Aachen University, Aachen, Germany

Low temperature fuel cells require hydrogen of high purity for electricity production to avoid catalyst poisoning. To purify hydrogenrich flue gases from hydrocarbon steam reforming membrane shift reactors with a metal membranes may be utilized. A model of a tubular membrane shift reactor with a hydrogenseparating palladium membrane is modeled in the COMSOL Multiphysics® Chemical Engineering ...

Optimization of Around-The-End Hydraulic Mixer Using COMSOL Multiphysics®

S. Mohammadighavam[1], B. Kløve[1]
[1]University of Oulu, Department of Process and Environmental Engineering ,Oulu, Finland

After rapid mixing of waste water and coagulant, an effective slow mixing during a reasonable retention time will cause to grow the size of flocs up which will settle out easily. Around-the-end hydraulic mixer with barriers is one of the efficient facilities that have been used in water treatment plants for this purpose. A uniform velocity gradient (G) is needed to achieve efficient mixing and ...

Three-Dimensional Percolation Properties Simulation of a Marine Coating Based on Its Real Structure Obtained from Ptychographic X-Ray Tomography - new

B. Chen[1], M. Guizar-Sicairos[2], G. Xiong[1], L. Shemilt[1], A. Diaz[2], J. Nutter[1], N. Burdet[1], S. Huo[1], F. Vergeer[3], A. Burgess[4], I. Robinson[1]
[1]London Centre for Nanotechnology, University College London, London, UK
[2]Paul Scherrer Institute, Villigen, Switzerland
[3]AkzoNobel Co. Ltd., Sassenheim, Netherlands
[4]AkzoNobel (UK) Co. Ltd., Tyne and Wear, UK

We present quantitative nano-scale analysis of the 3D spatial structure of an anticorrosive aluminium epoxy barrier marine coating obtained by ptychographic X-ray computed tomography (PXCT) [1-3]. We then use COMSOL Multiphysics® software to perform simulations on the acquired real 3D structure to demonstrate how percolation through this actual 3D structure impedes ion diffusion in the ...

Simulation and Design of a Microfluidic Respirometer for Semi-Continuous Amperometric Short Time Biochemical Oxygen Demand (BODST) Analysis

F.J. del Campo[1], A. Torrents[1], J. Mas[2], F.X. Muñoz[1]
[1]Instituto de Microelectronica de Barcelona, IMB-CNM (CSIC), Campus Universitat Autònoma de Barcelona, Bellaterra, Barcelona, Spain
[2]Departement de Genètica i Microbiologia, Campus Universitat Autònoma de Barcelona, Bellaterra, Barcelona, Spain

Introduction: This work presents the design of a novel flow cell based miniaturized electrochemical respirometer to monitor organic content in water samples semi-continuously, in contrast to current Biochemical Oxygen Demand, BOD, methods. Simulation techniques has been used to parameterize and optimize aspects such as height and length of the channels, materials and thickness, flow and oxygen ...

Numerical Study of Smoldering Combustion of Activated Carbon in Ⅱ Iodine Absorber - new

T. Liang[1], M. Liu[1], X. Liu[1], Z. Meng[1]
[1]Safety Engineering, Zheng Zhou University, Zheng Zhou, Henan, China

Iodine absorber is a widely used purification equipment for purifying air in a nuclear power plant. In China, the common type is Ⅱ iodine absorber. Impregnated activated carbon is the main absorber within the iodine absorber. Because of the decays exothermic of radioactive iodine, heat is generated in the adsorption process. Carbon is a combustible material. Moreover, air is always supplied in ...

Virtual Functional Product Development of a µ-Methane Steam Reformer

T. J. Kazdal [1], M. J. Hampe [1],
[1] Technische Universität Darmstadt, Darmstadt, Germany

A micro steam methane reformer is a complex product consisting of multiple units. For the virtual functional product development it is necessary to validate these sub models separately. Therefore a reactor was designed to analyse kinetics of chemical reactions. The reactor design is based on a simulation geometry and the boundary conditions of the simulation were recreated in the experimental ...

Computational Optimization of Battery Grid for Efficiency and Performance Improvement

V. Panneerselvam [1], R. C. Thiagarajan [1]
[1] ATOA Scientific Technologies Pvt Ltd, Bengaluru, India

Battery grids are critical system used in automobile, renewable energy, medical devices and mobile phones. Research efforts are directed to increase energy density, longevity and reduce the cost. This paper is related to computational optimisation of lead acid battery for efficiency and performance improvement. Battery grid is the precursor for the active material and current distribution in ...

Effect of Viscosity of Food on Digestion and Nutrient Absorption in the Human Small Intestine

J. S. Karthikeyan [1], D. Salvi [1], M. V. Karwe [1],
[1] Rutgers University, New Brunswick, NJ, USA

Digestion is the process of breaking down food into smaller components, by mechanical and enzymatic action in the digestive tract, so that the smaller nutrient molecules can be more easily absorbed in the intestinal tract. To study and analyze the human digestive process, different methodologies have been used in the past. In general, in vivo feeding studies with humans provide the most accurate ...