Numerical simulation of an electrochemical system and semi-analytical method


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{
  "revision": 6, 
  "metadata": {
    "publication_date": "Jun 03, 2022, 16:47:13", 
    "_oai": {
      "id": "oai:materialscloud.org:1367"
    }, 
    "license": "Creative Commons Attribution 4.0 International", 
    "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. We also provide examples of the resulting impedances and frequency responses of various parameters.", 
    "contributors": [
      {
        "familyname": "Taherkhani", 
        "affiliations": [
          "University of Bremen"
        ], 
        "email": "taherkhani@uni-bremen.de", 
        "givennames": "Farid"
      }, 
      {
        "familyname": "Brogioli", 
        "affiliations": [
          "University of Bremen"
        ], 
        "email": "brogioli@uni-bremen.de", 
        "givennames": "Doriano"
      }, 
      {
        "familyname": "La Mantia", 
        "affiliations": [
          "University of Bremen"
        ], 
        "email": "lamantia@uni-bremen.de", 
        "givennames": "Fabio"
      }
    ], 
    "edited_by": 770, 
    "title": "Numerical simulation of an electrochemical system and semi-analytical method", 
    "conceptrecid": "1366", 
    "license_addendum": null, 
    "doi": "10.24435/materialscloud:5e-39", 
    "mcid": "2022.71", 
    "_files": [
      {
        "size": 49991, 
        "key": "Model_Redox_Numerical.java", 
        "checksum": "md5:35004a892b1718ee67a6003047401d01", 
        "description": "COMSOL model as Java file with the fully numerical calculation."
      }, 
      {
        "size": 1156793, 
        "key": "Model_Redox_Numerical.mph", 
        "checksum": "md5:3140262043a79d4d2d6d90778a3dd67c", 
        "description": "COMSOL model file with the fully numerical calculation."
      }, 
      {
        "size": 205397, 
        "key": "Model_Redox_Semianalytical.java", 
        "checksum": "md5:ee94814efc5d5881b3900e6fa1850e89", 
        "description": "COMSOL model as Java file with the semi-analytical calculation."
      }, 
      {
        "size": 12219285, 
        "key": "Model_Redox_Semianalytical.mph", 
        "checksum": "md5:08b8e68ae61fc4e6c4272436d4078520", 
        "description": "COMSOL model file with the semi-analytical calculation."
      }, 
      {
        "size": 25820, 
        "key": "data_files.zip", 
        "checksum": "md5:ec9bca909e52481df559c61919d19c53", 
        "description": "Examples of results obtained with the models. A README.txt file, with detailed descriptions, is included."
      }
    ], 
    "id": "1367", 
    "keywords": [
      "Finite element method", 
      "Semi-analytical solution", 
      "Electrochemical system", 
      "Diffuse double layer"
    ], 
    "is_last": true, 
    "status": "published", 
    "references": [
      {
        "comment": "Paper where the model is discussed.", 
        "type": "Journal reference", 
        "citation": "\"Numerical simulation of electrochemical systems by coupling analytical calculation of the diffuse double layer and finite element description of solution bulk\", Farid Taherkhani, Doriano Brogioli, and Fabio La Mantia.\nSubmitted to Electroanalysis on 2 June 2022."
      }
    ], 
    "version": 1, 
    "owner": 770
  }, 
  "id": "1367", 
  "created": "2022-05-31T10:14:48.659342+00:00", 
  "updated": "2022-06-03T14:51:09.885057+00:00"
}