Numerical simulation of an electrochemical system and semi-analytical method

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{
  "metadata": {
    "is_last": true, 
    "version": 2, 
    "title": "Numerical simulation of an electrochemical system and semi-analytical method", 
    "keywords": [
      "Finite element method", 
      "Semi-analytical solution", 
      "Electrochemical system", 
      "Diffuse double layer"
    ], 
    "description": "Electrochemical systems are often simulated by using numerical methods based on finite element solution of differential equations. We developed a method to decrease the needed computational resources, based on the analytical solution of a part of the system: the obtained analytical equations are applied as boundary conditions to the finite element calculation. The part of the system that is analytically solved is the region of the diffuse double layer. We provide two COMSOL models: i) a 1d fully numerical calculation and ii) the same simulation performed with the semi-analytical method. For each model, we provide the .mph file (Comsol) and the .java file (Java+Comsol). We also provide examples of the resulting impedances and frequency responses of various parameters.", 
    "license": "Creative Commons Attribution 4.0 International", 
    "references": [
      {
        "url": "https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/elan.202200257", 
        "type": "Journal reference", 
        "citation": "Farid Taherkhani, Doriano Brogioli, and Fabio La Mantia.\"Numerical simulation of electrochemical systems by coupling analytical calculation of the diffuse double layer and finite element description of solution bulk\",  Electroanalysis 34 (2022).", 
        "comment": "Paper in which the method is described", 
        "doi": "10.1002/elan.202200257"
      }
    ], 
    "doi": "10.24435/materialscloud:eh-fj", 
    "conceptrecid": "1366", 
    "publication_date": "Dec 19, 2022, 11:06:29", 
    "edited_by": 576, 
    "_oai": {
      "id": "oai:materialscloud.org:1590"
    }, 
    "contributors": [
      {
        "affiliations": [
          "Energiespeicher- und Energiewandlersysteme, Universit\u00e4t Bremen, Bibliothekstra\u00dfe1, Bremen 28359, Germany"
        ], 
        "email": "taherkhani@uni-bremen.de", 
        "familyname": "Taherkhani", 
        "givennames": "Farid"
      }, 
      {
        "affiliations": [
          "Energiespeicher- und Energiewandlersysteme, Universit\u00e4t Bremen, Bibliothekstra\u00dfe1, Bremen 28359, Germany"
        ], 
        "email": "brogioli@uni-bremen.de", 
        "familyname": "Brogioli", 
        "givennames": "Doriano"
      }, 
      {
        "affiliations": [
          "Energiespeicher- und Energiewandlersysteme, Universit\u00e4t Bremen, Bibliothekstra\u00dfe1, Bremen 28359, Germany"
        ], 
        "email": "lamantia@uni-bremen.de", 
        "familyname": "La Mantia", 
        "givennames": "Fabio"
      }
    ], 
    "owner": 770, 
    "license_addendum": null, 
    "mcid": "2022.176", 
    "_files": [
      {
        "size": 52046, 
        "checksum": "md5:b33f9c0ff66bcd886536df01b4c22b77", 
        "description": "COMSOL model as Java file with the fully numerical calculation.", 
        "key": "Model_Redox_Numerical.java"
      }, 
      {
        "size": 831493, 
        "checksum": "md5:7662639f801022f2b0bc615fc94e9143", 
        "description": "COMSOL model file with the fully numerical calculation.", 
        "key": "Model_Redox_Numerical.mph"
      }, 
      {
        "size": 214884, 
        "checksum": "md5:c398848612adedb376ca05dd45128563", 
        "description": "COMSOL model as Java file with the semi-analytical calculation.", 
        "key": "Model_Redox_Semianalytical.java"
      }, 
      {
        "size": 7605430, 
        "checksum": "md5:f5a8b28a6871336b541354513570be12", 
        "description": "COMSOL model file with the semi-analytical calculation.", 
        "key": "Model_Redox_Semianalytical.mph"
      }, 
      {
        "size": 25820, 
        "checksum": "md5:ec9bca909e52481df559c61919d19c53", 
        "description": "Examples of results obtained with the models. A README.txt file, with detailed descriptions, is included.", 
        "key": "data_files.zip"
      }
    ], 
    "id": "1590", 
    "status": "published"
  }, 
  "revision": 5, 
  "updated": "2022-12-19T10:06:29.676897+00:00", 
  "created": "2022-12-16T16:15:48.590041+00:00", 
  "id": "1590"
}