Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Digital simulation; Saul'yev method; Finite differences; Disk electrode simulation; Homogeneous chemical reactions;
مقالات ISI الکتروشیمی محاسباتی (ترجمه نشده)
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Keywords: الکتروشیمی محاسباتی; Tafel analysis; Mass transport; Voltammetry; Microelectrode; Computational electrochemistry;
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Cyclic voltammetry; Randles-Å evÄik function; Double exponential quadratures; Accurate computing;
Keywords: الکتروشیمی محاسباتی; Super-time-stepping; Digital simulation; Computational electrochemistry; Chronoamperometry; Cyclic voltammetry;
Keywords: الکتروشیمی محاسباتی; Volterra integral equations; Weakly singular kernels; Weakly singular solutions; Adaptive methods; Product-integration; Computational electrochemistry;
Keywords: الکتروشیمی محاسباتی; Computational Electrochemistry; Digital Simulation; Saul'yev method; Finite differences; Ultramicrodisk electrode simulation;
Keywords: الکتروشیمی محاسباتی; Volterra integral equations; Weakly singular kernels; Weakly singular solutions; Adaptive methods; Product-integration; Computational electrochemistry;
Keywords: الکتروشیمی محاسباتی; Computational Electrochemistry; Migration; Digital Simulation; Diffusion Potential
Keywords: الکتروشیمی محاسباتی; Nanoparticles; Hindered diffusion; Computational electrochemistry; Impact voltammetry;
Keywords: الکتروشیمی محاسباتی; Natural convection; Computational electrochemistry; Galvanostatic constraint condition; Butler-Volmer-condition; Finite element method;
Probe effects on concentration profiles in the diffusion layer: Computational modeling and near-surface pH measurements using microelectrodes
Keywords: الکتروشیمی محاسباتی; Near-surface pH; Computational electrochemistry; Potentiometric probes; Hydrogen evolution reaction;
Simulation of interfacial pH changes during hydrogen evolution reaction
Keywords: الکتروشیمی محاسباتی; HER; Volmer-Taffel; Volmer-Heyrovský; Finite elements; Computational electrochemistry
Automatic solution of integral equations describing electrochemical transients at dropping mercury electrodes
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Laboratory automation; Digital simulation; Transient methods; Volterra integral equations; Expanding plane DME model
Automatic solution of integral equations describing electrochemical transients under conditions of internal cylindrical diffusion
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Laboratory automation; Digital simulation; Transient methods; Volterra integral equations; Cylindrical pore electrode
Automatic solution of integral equations describing electrochemical transients under conditions of internal spherical diffusion
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Laboratory automation; Digital simulation; Transient methods; Volterra integral equations; Amalgam electrodes
Automatic solution of the Singh and Dutt integral equations for channel or tubular electrodes, by the adaptive Huber method
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Laboratory automation; Digital simulation; Transient methods; Volterra integral equations; Hydrodynamic voltammetry
A procedure for rapid and highly accurate computation of Marcus–Hush–Chidsey rate constants
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Digital simulation; Marcus theory; Rate constants; Minimax approximation
First-principles computational electrochemistry: Achievements and challenges
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Density functional theory; Electrocatalysis
Electrochemical oxidation of 6-hydroxyquinoline on a glassy carbon paste electrode: Voltammetric and computational study
Keywords: الکتروشیمی محاسباتی; 6-Hydroxyquinoline; Electrochemical oxidation; Glassy carbon paste electrode; Cyclic voltammetry; Computational electrochemistry
Automatic solution of integral equations pertinent to diffusion with first order homogeneous reactions at cylindrical wire electrodes
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Cyclic voltammetry; Digital simulation; Volterra integral equations; Cylindrical wire electrodes; Catalytic mechanism;
EChem++ - An object-oriented problem solving environment for electrochemistry. Part 71: Simulation of equilibrium electron transfer processes with implicit Dirichlet boundary conditions
Keywords: الکتروشیمی محاسباتی; Adaptive finite element method; Rosenbrock schemes; Computational electrochemistry; Lagrange multiplier; Nernst equilibrium;
Automatic simulation of electrochemical transients assuming finite diffusion space at planar interfaces, by the adaptive Huber method for Volterra integral equations
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Laboratory automation; Digital simulation; Transient methods; Volterra integral equations; Finite diffusion space
A stabilized finite element method for the numerical simulation of multi-ion transport in electrochemical systems
Keywords: الکتروشیمی محاسباتی; Electrochemical systems; Ion transport; Electrolyte solution; Computational electrochemistry; Variational multiscale method; Stabilized finite element method
A highly accurate, inexpensive procedure for computing theoretical chronoamperometric current at cylindrical wire electrodes
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Cylindrical electrodes; Chronoamperometry; Modified Bessel functions
A highly accurate, inexpensive procedure for computing integral transformation kernel and its moment integrals for cylindrical wire electrodes
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Cylindrical electrodes; Integral transformation kernel; Modified Bessel functions; Chronopotentiometry
Automatic simulation of electrochemical transients at cylindrical wire electrodes, by the adaptive Huber method for Volterra integral equations
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Laboratory automation; Voltammetry; Digital simulation; Volterra integral equations; Cylindrical wire electrodes
Electrochemical reactions where the variation of supporting electrolyte concentration is mechanistically revealing: ECE-DISP1 processes in which the chemical step is an isomerisation
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; ECE mechanism; DISP1 mechanism; Hemispherical microelectrode; Migration; Homogeneous kinetics;
An adaptive Huber method for non-linear systems of weakly singular second kind Volterra integral equations
Keywords: الکتروشیمی محاسباتی; Weakly singular integral equations; Adaptive methods; A posteriori error estimation; Product-integration; Huber method; Computational electrochemistry;
Voltammetry in the absence of excess supporting electrolyte – ECE-DISP1 reactions: The electrochemical reduction of 2-nitrobromobenzene in acetonitrile solvent
Keywords: الکتروشیمی محاسباتی; 2-Nitrobromobenzene; Computational electrochemistry; ECE mechanism; DISP1 mechanism; Migration; Weakly supported voltammetry
Diffusion-limited chronoamperometry at conical-tip microelectrodes
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Digital simulation; Conical-tip microelectrodes
The performance of differential pulse stripping voltammetry at micro-liquid–liquid interface arrays
Keywords: الکتروشیمی محاسباتی; ITIES; Ion transfer; Pulsed voltammetry; Micropore; Array; Computational electrochemistry
Reference values of the chronoamperometric response at cylindrical and capped cylindrical electrodes
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Finite difference digital simulation; Cylindrical electrodes; Reference currents; Cylindrical transport
On the nature of tetraalkylammonium ions in common electrochemical solvents: General and specific solvation – Quantitative aspects
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Tetraalkylammonium ions; Specific solvation; Inner sphere solvation; General solvation
Automatic simulation of cyclic voltammograms by the adaptive Huber method for weakly singular second kind Volterra integral equations
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Laboratory automation; Cyclic voltammetry; Digital simulation; Second kind Volterra integral equations; Weakly singular kernels
Automatic simulation of cyclic voltammograms by the adaptive Huber method for systems of weakly singular Volterra integral equations
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Laboratory automation; Cyclic voltammetry; Digital simulation; Volterra integral equation systems; Weakly singular kernels
Theory of diffusion to an “annular microband” electrode
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Annular microband electrode; Steady-state diffusion; Convergent diffusion; Microelectrode voltammetry; Fast electrochemical kinetics
Strategies for damping the oscillations of the alternating direction implicit method of simulation of diffusion-limited chronoamperometry at disk electrodes
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Digital simulation; Disk electrodes; ADI; Damping of error oscillations
On the use of digital staircase ramps for linear sweep voltammetry at microdisc electrodes: Large step potentials significantly broaden and shift voltammetric peaks
Keywords: الکتروشیمی محاسباتی; Cyclic voltammetry; Computational electrochemistry; Staircase voltammetry; Microdisc; Heterogeneous rate constant
Measuring the size distribution of microelectrodes in an array
Keywords: الکتروشیمی محاسباتی; Microdisc array; Electrode calibration; Linear sweep voltammetry; Computational electrochemistry
Numerical simulation of the limiting current for the CE mechanism at a microdisc electrode
Keywords: الکتروشیمی محاسباتی; Microdisc electrode; CE mechanism; Computational electrochemistry; Diffusion limiting current
Comparison of flux approximations in electrochemical digital simulation. Part 2: Complications due to homogeneous chemical reactions, charge estimation and application to the ultramicrodisk electrode
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Chronoamperometry; Digital simulation; Flux approximations; Charge approximations; Homogeneous chemical reactions; Ultramicrodisk electrode
Computational modeling of the template-assisted deposition of nanowires
Keywords: الکتروشیمی محاسباتی; Nanowires; Electrodeposition; Porous alumina template; Finite element methods; Computational electrochemistry
A fourth-order accurate, three-point compact approximation of the boundary gradient, for electrochemical kinetic simulations by the extended Numerov method
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Electrochemical kinetics; Digital simulation; Extended Numerov method; Reinert–Berg system; Rotating disk electrode
Mass transport corrected Tafel analysis of voltammetric waves: When can it be applied?
Keywords: الکتروشیمی محاسباتی; Tafel analysis; Tubular electrode; Linear sweep voltammetry; Diffusion layer thickness; Computational electrochemistry
Comparison of flux approximations in electrochemical digital simulation
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Digital simulation; Flux approximations
EChem++ – An object-oriented problem solving environment for electrochemistry. Part 6. Adaptive finite element simulations of controlled-current electrochemical experiments
Keywords: الکتروشیمی محاسباتی; Adaptive finite element method; Rosenbrock schemes; Computational electrochemistry; Simulation; Controlled-current experiments
Chemical instability promotes apparent electrochemical irreversibility: Studies on the electrode kinetics of the one electron reduction of the 2,6-diphenylpyrylium cation in acetonitrile solution
Keywords: الکتروشیمی محاسباتی; Tubular electrode; Linear sweep voltammetry; EC2 mechanism; EC mechanism; Computational electrochemistry
EChem++ – An object-oriented problem solving environment for electrochemistry. Part 5. A differential-algebraic approach to the error control of adaptive algorithms
Keywords: الکتروشیمی محاسباتی; Adaptive finite elements; Rosenbrock algorithm; Computational electrochemistry; Simulation; Error control; Dynamic adsorption; Surface reactions
Use of dynamically adaptive grid techniques for the solution of electrochemical kinetic equations: Part 16: Patch-adaptive strategy combined with the extended Numerov spatial discretisation
Keywords: الکتروشیمی محاسباتی; Computational electrochemistry; Electrochemical kinetics; Digital simulation; Adaptive grids; Extended Numerov method
Theory of cyclic voltammetry in tubular electrodes under no flow conditions
Keywords: الکتروشیمی محاسباتی; Tubular electrode; Ring electrode; Microtube laminate electrode; Cyclic voltammetry; Computational electrochemistry