Modelling and Simulating CO2 Electro-Reduction to Formic Acid Using Microfluidic Electrolytic Cells: The Influence of Bi-Sn Catalyst and 1-Ethyl-3-Methyl Imidazolium Tetra-Fluoroborate Electrolyte on Cell Performance

A modified steady-state numerical model is developed for the electrochemical reduction of CO2 to formic acid. The numerical model achieves a CD (current density) (~60 mA/cm2), FE-faradaic efficiency (~98%) and conversion (~80%) for CO2 electro-reduction to formic acid in a microfluidic cell. The model integrates charge and species transport, mass conservation, and momentum with electrochemistry. Specifically, the influences of Bi-Sn based nanoparticle catalyst (on the cathode surface) at different mole fractions and 1-ethyl-3-methyl imidazolium tetra-fluoroborate ([EMIM][BF4]) electrolyte, on CD, FE and CO2 conversion to formic acid is studied. The reaction is carried out at a constant concentration of electrolyte (85% v/v., [EMIM][BF4]). Based on the mass transfer characteristics analysis (concentration contours), mole ratio 0.5:0.5 Bi-Sn catalyst displays the highest CO2 mole consumption in the cathode gas channel. After validating with experimental data (polarisation curves) from literature, extensive simulations reveal performance measure: CD, FE and CO2 conversion. Increasing the negative cathode potential increases the current densities for both formic acid and H2 formations. However, H2 formations are minimal as a result of insufficient hydrogen ions in the ionic liquid electrolyte. Moreover, the limited hydrogen ions have a negative effect on formic acid CD. As CO2 flow rate increases, CD, FE and CO2 conversion increases.

Performances Analysis of the Pressure and Production of an Oil Zone by Simulation of the Flow of a Fluid through the Porous Media

This work is the modeling and simulation of fluid flow (liquid) through porous media. This type of flow occurs in many situations of interest in applied sciences and engineering, fluid (oil) consists of several individual substances in pure, single-phase flow is incompressible and isothermal. The porous medium is isotropic, homogeneous optionally, with the rectangular format and the flow is two-dimensional. Modeling of hydrodynamic phenomena incorporates Darcy's law and the equation of mass conservation. Correlations are used to model the density and viscosity of the fluid. A finite volume code is used in the discretization of differential equations. The nonlinearity is treated by Newton's method with relaxation coefficient. The results of the simulation of the pressure and the mobility of liquid flowing through porous media are presented, analyzed, and illustrated.

Material Density Mapping on Deformable 3D Models of Human Organs

Organ motion, especially respiratory motion, is a technical challenge to radiation therapy planning and dosimetry. This motion induces displacements and deformation of the organ tissues within the irradiated region which need to be taken into account when simulating dose distribution during treatment. Finite element modeling (FEM) can provide a great insight into the mechanical behavior of the organs, since they are based on the biomechanical material properties, complex geometry of organs, and anatomical boundary conditions. In this paper we present an original approach that offers the possibility to combine image-based biomechanical models with particle transport simulations. We propose a new method to map material density information issued from CT images to deformable tetrahedral meshes. Based on the principle of mass conservation our method can correlate density variation of organ tissues with geometrical deformations during the different phases of the respiratory cycle. The first results are particularly encouraging, as local error quantification of density mapping on organ geometry and density variation with organ motion are performed to evaluate and validate our approach.

Creating Streamribbons Based on Mass Conservative Streamlines

Streamribbon is used to visualize the rotation of the fluid flow. The rotation of flow is useful in fluid mechanics, engineering and geophysics. This paper introduces the construction technique of streamribbon using the streamline which is generated based on the law of mass conservation. The accuracy of constructed streamribbons is shown through two examples.

An Unstructured Finite-volume Technique for Shallow-water Flows with Wetting and Drying Fronts

An unstructured finite volume numerical model is presented here for simulating shallow-water flows with wetting and drying fronts. The model is based on the Green-s theorem in combination with Chorin-s projection method. A 2nd-order upwind scheme coupled with a Least Square technique is used to handle convection terms. An Wetting and drying treatment is used in the present model to ensures the total mass conservation. To test it-s capacity and reliability, the present model is used to solve the Parabolic Bowl problem. We compare our numerical solutions with the corresponding analytical and existing standard numerical results. Excellent agreements are found in all the cases.

A Conservative Multi-block Algorithm for Two-dimensional Numerical Model

A multi-block algorithm and its implementation in two-dimensional finite element numerical model CCHE2D are presented. In addition to a conventional Lagrangian Interpolation Method (LIM), a novel interpolation method, called Consistent Interpolation Method (CIM), is proposed for more accurate information transfer across the interfaces. The consistent interpolation solves the governing equations over the auxiliary elements constructed around the interpolation nodes using the same numerical scheme used for the internal computational nodes. With the CIM, the momentum conservation can be maintained as well as the mass conservation. An imbalance correction scheme is used to enforce the conservation laws (mass and momentum) across the interfaces. Comparisons of the LIM and the CIM are made using several flow simulation examples. It is shown that the proposed CIM is physically more accurate and produces satisfactory results efficiently.

2D Validation of a High-order Adaptive Cartesian-grid finite-volume Characteristic- flux Model with Embedded Boundaries

A Finite Volume method based on Characteristic Fluxes for compressible fluids is developed. An explicit cell-centered resolution is adopted, where second and third order accuracy is provided by using two different MUSCL schemes with Minmod, Sweby or Superbee limiters for the hyperbolic part. Few different times integrator is used and be describe in this paper. Resolution is performed on a generic unstructured Cartesian grid, where solid boundaries are handled by a Cut-Cell method. Interfaces are explicitely advected in a non-diffusive way, ensuring local mass conservation. An improved cell cutting has been developed to handle boundaries of arbitrary geometrical complexity. Instead of using a polygon clipping algorithm, we use the Voxel traversal algorithm coupled with a local floodfill scanline to intersect 2D or 3D boundary surface meshes with the fixed Cartesian grid. Small cells stability problem near the boundaries is solved using a fully conservative merging method. Inflow and outflow conditions are also implemented in the model. The solver is validated on 2D academic test cases, such as the flow past a cylinder. The latter test cases are performed both in the frame of the body and in a fixed frame where the body is moving across the mesh. Adaptive Cartesian grid is provided by Paramesh without complex geometries for the moment.