{"_buckets": {"deposit": "8e18bd10-160e-4cde-9a1e-1117c5a6ea44"}, "_deposit": {"created_by": 17, "id": "2003912", "owner": "17", "owners": [17], "owners_ext": {"displayname": "repository", "username": "repository"}, "pid": {"revision_id": 0, "type": "depid", "value": "2003912"}, "status": "published"}, "_oai": {"id": "oai:nagoya.repo.nii.ac.jp:02003912", "sets": ["322"]}, "author_link": [], "item_1615768549627": {"attribute_name": "出版タイプ", "attribute_value_mlt": [{"subitem_version_resource": "http://purl.org/coar/version/c_ab4af688f83e57aa", "subitem_version_type": "AM"}]}, "item_1629683748249": {"attribute_name": "日付", "attribute_value_mlt": [{"subitem_date_issued_datetime": "2024-09-01", "subitem_date_issued_type": "Available"}]}, "item_9_biblio_info_6": {"attribute_name": "書誌情報", "attribute_value_mlt": [{"bibliographicIssueDates": {"bibliographicIssueDate": "2022-09-01", "bibliographicIssueDateType": "Issued"}, "bibliographicPageStart": "121371", "bibliographicVolumeNumber": "296", "bibliographic_titles": [{"bibliographic_title": "Separation and Purification Technology", "bibliographic_titleLang": "en"}]}]}, "item_9_description_4": {"attribute_name": "内容記述", "attribute_value_mlt": [{"subitem_description": "To quantitatively analyze the inconsistencies commonly observed between experimental and simulated adsorption isotherms, parameter estimation of adsorption isotherm models was conducted by hierarchical Bayesian estimation with parameter uncertainties being quantified as probability distributions. The estimation method was implemented using Markov Chain Monte Carlo (MCMC) to analyze multiple data sets obtained from different sources, including a publicly available database. To describe the discrepancies of experimental and simulated adsorption data, the simulation data was set as the reference to which experimental measurements were compared. We applied the proposed approach to analyze CO2 adsorption isotherms that are measured and simulated on zeolite 13X and MIL-101(Cr). In these case studies, the discrepancy of CO2 adsorption isotherm was successfully quantified between experimental measurements and predictions given by molecular simulations using Grand Canonical Monte Carlo (GCMC), where uncertainties were quantified as probability distributions. Furthermore, experimental data sets that agree well with the GCMC simulation have been identified, providing insights into experimental and measurement methods as well as choosing the right assumptions in the molecular simulation.", "subitem_description_language": "en", "subitem_description_type": "Abstract"}]}, "item_9_publisher_32": {"attribute_name": "出版者", "attribute_value_mlt": [{"subitem_publisher": "Elsevier", "subitem_publisher_language": "en"}]}, "item_9_relation_43": {"attribute_name": "関連情報", "attribute_value_mlt": [{"subitem_relation_type": "isVersionOf", "subitem_relation_type_id": {"subitem_relation_type_id_text": "https://doi.org/10.1016/j.seppur.2022.121371", "subitem_relation_type_select": "DOI"}}]}, "item_9_rights_12": {"attribute_name": "権利", "attribute_value_mlt": [{"subitem_rights": "© 2022. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/", "subitem_rights_language": "en"}]}, "item_9_source_id_7": {"attribute_name": "収録物識別子", "attribute_value_mlt": [{"subitem_source_identifier": "1383-5866", "subitem_source_identifier_type": "PISSN"}]}, "item_access_right": {"attribute_name": "アクセス権", "attribute_value_mlt": [{"subitem_access_right": "embargoed access", "subitem_access_right_uri": "http://purl.org/coar/access_right/c_f1cf"}]}, "item_creator": {"attribute_name": "著者", "attribute_type": "creator", "attribute_value_mlt": [{"creatorNames": [{"creatorName": "Kojima, Sotaro", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Park, Jongwoo", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Carter, Eli A.", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Walton, Krista S.", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Realff, Matthew J.", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Sholl, David S.", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Yajima, Tomoyuki", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Fujiki, Junpei", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Kawajiri, Yoshiaki", "creatorNameLang": "en"}]}]}, "item_files": {"attribute_name": "ファイル情報", "attribute_type": "file", "attribute_value_mlt": [{"accessrole": "open_date", "date": [{"dateType": "Available", "dateValue": "2024-09-01"}], "displaytype": "detail", "download_preview_message": "Download / Preview is available from 2024/8/31.", "file_order": 0, "filename": "Manuscript.pdf", "filesize": [{"value": "2.4 MB"}], "format": "application/pdf", "future_date_message": "Download is available from 2024/8/31.", "is_thumbnail": false, "mimetype": "application/pdf", "size": 2400000.0, "url": {"objectType": "fulltext", "url": "https://nagoya.repo.nii.ac.jp/record/2003912/files/Manuscript.pdf"}, "version_id": "9437386f-0403-46f5-8aae-83124137cf9e"}]}, "item_language": {"attribute_name": "言語", "attribute_value_mlt": [{"subitem_language": "eng"}]}, "item_resource_type": {"attribute_name": "資源タイプ", "attribute_value_mlt": [{"resourcetype": "journal article", "resourceuri": "http://purl.org/coar/resource_type/c_6501"}]}, "item_title": "Discrepancy quantification between experimental and simulated data of CO2 adsorption isotherm using hierarchical Bayesian estimation", "item_titles": {"attribute_name": "タイトル", "attribute_value_mlt": [{"subitem_title": "Discrepancy quantification between experimental and simulated data of CO2 adsorption isotherm using hierarchical Bayesian estimation", "subitem_title_language": "en"}]}, "item_type_id": "40001", "owner": "17", "path": ["322"], "permalink_uri": "http://hdl.handle.net/2237/0002003912", "pubdate": {"attribute_name": "PubDate", "attribute_value": "2022-10-12"}, "publish_date": "2022-10-12", "publish_status": "0", "recid": "2003912", "relation": {}, "relation_version_is_last": true, "title": ["Discrepancy quantification between experimental and simulated data of CO2 adsorption isotherm using hierarchical Bayesian estimation"], "weko_shared_id": -1}