Predicting the solubility of CO2 and N2 in ionic liquids based on COSMO-RS and machine learning Article Swipe
Hongling Qin
,
Ke Wang
,
Xifei Ma
,
Fangfang Li
,
Yanrong Liu
,
Xiaoyan Ji
·
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.3389/fchem.2024.1480468
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.3389/fchem.2024.1480468
As ionic liquids (ILs) continue to be prepared, there is a growing need to develop theoretical methods for predicting the properties of ILs, such as gas solubility. In this work, different strategies were employed to obtain the solubility of CO 2 and N 2 , where a conductor-like screening model for real solvents (COSMO-RS) was used as the basis. First, experimental data on the solubility of CO 2 and N 2 in ILs were collected. Then, the solubility of CO 2 and N 2 in ILs was predicted using COSMO-RS based on the structures of cations, anions, and gases. To further improve the performance of COSMO-RS, two options were used, i.e., the polynomial expression to correct the COSMO-RS results and the combination of COSMO-RS and machine learning algorithms (eXtreme Gradient Boosting, XGBoost) to develop a hybrid model. The results show that the COSMO-RS with correction can significantly improve the prediction of CO 2 solubility, and the corresponding average absolute relative deviation (AARD) is decreased from 43.4% to 11.9%. In contrast, such an option cannot improve that of the N 2 dataset. Instead, the results obtained from coupling machine learning algorithms with the COSMO-RS model agree well with the experimental results, with an AARD of 0.94% for the solubility of CO 2 and an average absolute deviation (AAD) of 0.15% for the solubility of N 2 .
Related Topics
Concepts
Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.3389/fchem.2024.1480468
- OA Status
- gold
- Cited By
- 5
- References
- 71
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4403962506
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
-
https://openalex.org/W4403962506Canonical identifier for this work in OpenAlex
- DOI
-
https://doi.org/10.3389/fchem.2024.1480468Digital Object Identifier
- Title
-
Predicting the solubility of CO2 and N2 in ionic liquids based on COSMO-RS and machine learningWork title
- Type
-
articleOpenAlex work type
- Language
-
enPrimary language
- Publication year
-
2024Year of publication
- Publication date
-
2024-10-31Full publication date if available
- Authors
-
Hongling Qin, Ke Wang, Xifei Ma, Fangfang Li, Yanrong Liu, Xiaoyan JiList of authors in order
- Landing page
-
https://doi.org/10.3389/fchem.2024.1480468Publisher landing page
- Open access
-
YesWhether a free full text is available
- OA status
-
goldOpen access status per OpenAlex
- OA URL
-
https://doi.org/10.3389/fchem.2024.1480468Direct OA link when available
- Concepts
-
COSMO-RS, Solubility, Ionic liquid, Chemistry, Thermodynamics, Ionic bonding, Physical chemistry, Materials science, Physics, Organic chemistry, Ion, CatalysisTop concepts (fields/topics) attached by OpenAlex
- Cited by
-
5Total citation count in OpenAlex
- Citations by year (recent)
-
2025: 5Per-year citation counts (last 5 years)
- References (count)
-
71Number of works referenced by this work
- Related works (count)
-
10Other works algorithmically related by OpenAlex
Full payload
| id | https://openalex.org/W4403962506 |
|---|---|
| doi | https://doi.org/10.3389/fchem.2024.1480468 |
| ids.doi | https://doi.org/10.3389/fchem.2024.1480468 |
| ids.pmid | https://pubmed.ncbi.nlm.nih.gov/39544717 |
| ids.openalex | https://openalex.org/W4403962506 |
| fwci | 0.99411618 |
| type | article |
| title | Predicting the solubility of CO2 and N2 in ionic liquids based on COSMO-RS and machine learning |
| biblio.issue | |
| biblio.volume | 12 |
| biblio.last_page | 1480468 |
| biblio.first_page | 1480468 |
| topics[0].id | https://openalex.org/T10480 |
| topics[0].field.id | https://openalex.org/fields/15 |
| topics[0].field.display_name | Chemical Engineering |
| topics[0].score | 0.9995999932289124 |
| topics[0].domain.id | https://openalex.org/domains/3 |
| topics[0].domain.display_name | Physical Sciences |
| topics[0].subfield.id | https://openalex.org/subfields/1503 |
| topics[0].subfield.display_name | Catalysis |
| topics[0].display_name | Ionic liquids properties and applications |
| topics[1].id | https://openalex.org/T11667 |
| topics[1].field.id | https://openalex.org/fields/22 |
| topics[1].field.display_name | Engineering |
| topics[1].score | 0.9965999722480774 |
| topics[1].domain.id | https://openalex.org/domains/3 |
| topics[1].domain.display_name | Physical Sciences |
| topics[1].subfield.id | https://openalex.org/subfields/2204 |
| topics[1].subfield.display_name | Biomedical Engineering |
| topics[1].display_name | Advanced Chemical Sensor Technologies |
| topics[2].id | https://openalex.org/T10402 |
| topics[2].field.id | https://openalex.org/fields/22 |
| topics[2].field.display_name | Engineering |
| topics[2].score | 0.9746999740600586 |
| topics[2].domain.id | https://openalex.org/domains/3 |
| topics[2].domain.display_name | Physical Sciences |
| topics[2].subfield.id | https://openalex.org/subfields/2204 |
| topics[2].subfield.display_name | Biomedical Engineering |
| topics[2].display_name | Phase Equilibria and Thermodynamics |
| is_xpac | False |
| apc_list.value | 2950 |
| apc_list.currency | USD |
| apc_list.value_usd | 2950 |
| apc_paid.value | 2950 |
| apc_paid.currency | USD |
| apc_paid.value_usd | 2950 |
| concepts[0].id | https://openalex.org/C2775973084 |
| concepts[0].level | 4 |
| concepts[0].score | 0.7604524493217468 |
| concepts[0].wikidata | https://www.wikidata.org/wiki/Q17007937 |
| concepts[0].display_name | COSMO-RS |
| concepts[1].id | https://openalex.org/C155574463 |
| concepts[1].level | 2 |
| concepts[1].score | 0.7487857341766357 |
| concepts[1].wikidata | https://www.wikidata.org/wiki/Q170731 |
| concepts[1].display_name | Solubility |
| concepts[2].id | https://openalex.org/C154881586 |
| concepts[2].level | 3 |
| concepts[2].score | 0.729749858379364 |
| concepts[2].wikidata | https://www.wikidata.org/wiki/Q898579 |
| concepts[2].display_name | Ionic liquid |
| concepts[3].id | https://openalex.org/C185592680 |
| concepts[3].level | 0 |
| concepts[3].score | 0.4457726776599884 |
| concepts[3].wikidata | https://www.wikidata.org/wiki/Q2329 |
| concepts[3].display_name | Chemistry |
| concepts[4].id | https://openalex.org/C97355855 |
| concepts[4].level | 1 |
| concepts[4].score | 0.4317716062068939 |
| concepts[4].wikidata | https://www.wikidata.org/wiki/Q11473 |
| concepts[4].display_name | Thermodynamics |
| concepts[5].id | https://openalex.org/C2182769 |
| concepts[5].level | 3 |
| concepts[5].score | 0.42683643102645874 |
| concepts[5].wikidata | https://www.wikidata.org/wiki/Q62500 |
| concepts[5].display_name | Ionic bonding |
| concepts[6].id | https://openalex.org/C147789679 |
| concepts[6].level | 1 |
| concepts[6].score | 0.33585166931152344 |
| concepts[6].wikidata | https://www.wikidata.org/wiki/Q11372 |
| concepts[6].display_name | Physical chemistry |
| concepts[7].id | https://openalex.org/C192562407 |
| concepts[7].level | 0 |
| concepts[7].score | 0.32178834080696106 |
| concepts[7].wikidata | https://www.wikidata.org/wiki/Q228736 |
| concepts[7].display_name | Materials science |
| concepts[8].id | https://openalex.org/C121332964 |
| concepts[8].level | 0 |
| concepts[8].score | 0.2573700547218323 |
| concepts[8].wikidata | https://www.wikidata.org/wiki/Q413 |
| concepts[8].display_name | Physics |
| concepts[9].id | https://openalex.org/C178790620 |
| concepts[9].level | 1 |
| concepts[9].score | 0.2232440710067749 |
| concepts[9].wikidata | https://www.wikidata.org/wiki/Q11351 |
| concepts[9].display_name | Organic chemistry |
| concepts[10].id | https://openalex.org/C145148216 |
| concepts[10].level | 2 |
| concepts[10].score | 0.1378166675567627 |
| concepts[10].wikidata | https://www.wikidata.org/wiki/Q36496 |
| concepts[10].display_name | Ion |
| concepts[11].id | https://openalex.org/C161790260 |
| concepts[11].level | 2 |
| concepts[11].score | 0.07358676195144653 |
| concepts[11].wikidata | https://www.wikidata.org/wiki/Q82264 |
| concepts[11].display_name | Catalysis |
| keywords[0].id | https://openalex.org/keywords/cosmo-rs |
| keywords[0].score | 0.7604524493217468 |
| keywords[0].display_name | COSMO-RS |
| keywords[1].id | https://openalex.org/keywords/solubility |
| keywords[1].score | 0.7487857341766357 |
| keywords[1].display_name | Solubility |
| keywords[2].id | https://openalex.org/keywords/ionic-liquid |
| keywords[2].score | 0.729749858379364 |
| keywords[2].display_name | Ionic liquid |
| keywords[3].id | https://openalex.org/keywords/chemistry |
| keywords[3].score | 0.4457726776599884 |
| keywords[3].display_name | Chemistry |
| keywords[4].id | https://openalex.org/keywords/thermodynamics |
| keywords[4].score | 0.4317716062068939 |
| keywords[4].display_name | Thermodynamics |
| keywords[5].id | https://openalex.org/keywords/ionic-bonding |
| keywords[5].score | 0.42683643102645874 |
| keywords[5].display_name | Ionic bonding |
| keywords[6].id | https://openalex.org/keywords/physical-chemistry |
| keywords[6].score | 0.33585166931152344 |
| keywords[6].display_name | Physical chemistry |
| keywords[7].id | https://openalex.org/keywords/materials-science |
| keywords[7].score | 0.32178834080696106 |
| keywords[7].display_name | Materials science |
| keywords[8].id | https://openalex.org/keywords/physics |
| keywords[8].score | 0.2573700547218323 |
| keywords[8].display_name | Physics |
| keywords[9].id | https://openalex.org/keywords/organic-chemistry |
| keywords[9].score | 0.2232440710067749 |
| keywords[9].display_name | Organic chemistry |
| keywords[10].id | https://openalex.org/keywords/ion |
| keywords[10].score | 0.1378166675567627 |
| keywords[10].display_name | Ion |
| keywords[11].id | https://openalex.org/keywords/catalysis |
| keywords[11].score | 0.07358676195144653 |
| keywords[11].display_name | Catalysis |
| language | en |
| locations[0].id | doi:10.3389/fchem.2024.1480468 |
| locations[0].is_oa | True |
| locations[0].source.id | https://openalex.org/S2764970645 |
| locations[0].source.issn | 2296-2646 |
| locations[0].source.type | journal |
| locations[0].source.is_oa | True |
| locations[0].source.issn_l | 2296-2646 |
| locations[0].source.is_core | True |
| locations[0].source.is_in_doaj | True |
| locations[0].source.display_name | Frontiers in Chemistry |
| locations[0].source.host_organization | https://openalex.org/P4310320527 |
| locations[0].source.host_organization_name | Frontiers Media |
| locations[0].source.host_organization_lineage | https://openalex.org/P4310320527 |
| locations[0].source.host_organization_lineage_names | Frontiers Media |
| locations[0].license | cc-by |
| locations[0].pdf_url | |
| locations[0].version | publishedVersion |
| locations[0].raw_type | journal-article |
| locations[0].license_id | https://openalex.org/licenses/cc-by |
| locations[0].is_accepted | True |
| locations[0].is_published | True |
| locations[0].raw_source_name | Frontiers in Chemistry |
| locations[0].landing_page_url | https://doi.org/10.3389/fchem.2024.1480468 |
| locations[1].id | pmid:39544717 |
| locations[1].is_oa | False |
| locations[1].source.id | https://openalex.org/S4306525036 |
| locations[1].source.issn | |
| locations[1].source.type | repository |
| locations[1].source.is_oa | False |
| locations[1].source.issn_l | |
| locations[1].source.is_core | False |
| locations[1].source.is_in_doaj | False |
| locations[1].source.display_name | PubMed |
| locations[1].source.host_organization | https://openalex.org/I1299303238 |
| locations[1].source.host_organization_name | National Institutes of Health |
| locations[1].source.host_organization_lineage | https://openalex.org/I1299303238 |
| locations[1].license | |
| locations[1].pdf_url | |
| locations[1].version | publishedVersion |
| locations[1].raw_type | |
| locations[1].license_id | |
| locations[1].is_accepted | True |
| locations[1].is_published | True |
| locations[1].raw_source_name | Frontiers in chemistry |
| locations[1].landing_page_url | https://pubmed.ncbi.nlm.nih.gov/39544717 |
| locations[2].id | pmh:oai:DiVA.org:ltu-110804 |
| locations[2].is_oa | True |
| locations[2].source.id | https://openalex.org/S4306400013 |
| locations[2].source.issn | |
| locations[2].source.type | repository |
| locations[2].source.is_oa | False |
| locations[2].source.issn_l | |
| locations[2].source.is_core | False |
| locations[2].source.is_in_doaj | False |
| locations[2].source.display_name | Publications (Konstfack University of Arts, Crafts, and Design) |
| locations[2].source.host_organization | https://openalex.org/I218177685 |
| locations[2].source.host_organization_name | University College of Arts Crafts and Design |
| locations[2].source.host_organization_lineage | https://openalex.org/I218177685 |
| locations[2].license | other-oa |
| locations[2].pdf_url | |
| locations[2].version | submittedVersion |
| locations[2].raw_type | Article in journal |
| locations[2].license_id | https://openalex.org/licenses/other-oa |
| locations[2].is_accepted | False |
| locations[2].is_published | False |
| locations[2].raw_source_name | |
| locations[2].landing_page_url | http://urn.kb.se/resolve?urn=urn:nbn:se:ltu:diva-110804 |
| locations[3].id | pmh:oai:doaj.org/article:cc7e8510d06b4ec7bac325d7ed985b74 |
| locations[3].is_oa | False |
| locations[3].source.id | https://openalex.org/S4306401280 |
| locations[3].source.issn | |
| locations[3].source.type | repository |
| locations[3].source.is_oa | False |
| locations[3].source.issn_l | |
| locations[3].source.is_core | False |
| locations[3].source.is_in_doaj | False |
| locations[3].source.display_name | DOAJ (DOAJ: Directory of Open Access Journals) |
| locations[3].source.host_organization | |
| locations[3].source.host_organization_name | |
| locations[3].license | |
| locations[3].pdf_url | |
| locations[3].version | submittedVersion |
| locations[3].raw_type | article |
| locations[3].license_id | |
| locations[3].is_accepted | False |
| locations[3].is_published | False |
| locations[3].raw_source_name | Frontiers in Chemistry, Vol 12 (2024) |
| locations[3].landing_page_url | https://doaj.org/article/cc7e8510d06b4ec7bac325d7ed985b74 |
| locations[4].id | pmh:oai:pubmedcentral.nih.gov:11560425 |
| locations[4].is_oa | True |
| locations[4].source.id | https://openalex.org/S2764455111 |
| locations[4].source.issn | |
| locations[4].source.type | repository |
| locations[4].source.is_oa | False |
| locations[4].source.issn_l | |
| locations[4].source.is_core | False |
| locations[4].source.is_in_doaj | False |
| locations[4].source.display_name | PubMed Central |
| locations[4].source.host_organization | https://openalex.org/I1299303238 |
| locations[4].source.host_organization_name | National Institutes of Health |
| locations[4].source.host_organization_lineage | https://openalex.org/I1299303238 |
| locations[4].license | other-oa |
| locations[4].pdf_url | |
| locations[4].version | submittedVersion |
| locations[4].raw_type | Text |
| locations[4].license_id | https://openalex.org/licenses/other-oa |
| locations[4].is_accepted | False |
| locations[4].is_published | False |
| locations[4].raw_source_name | Front Chem |
| locations[4].landing_page_url | https://www.ncbi.nlm.nih.gov/pmc/articles/11560425 |
| indexed_in | crossref, doaj, pubmed |
| authorships[0].author.id | https://openalex.org/A5007004056 |
| authorships[0].author.orcid | https://orcid.org/0000-0003-1135-6208 |
| authorships[0].author.display_name | Hongling Qin |
| authorships[0].countries | CN, SE |
| authorships[0].affiliations[0].institution_ids | https://openalex.org/I4210133325 |
| authorships[0].affiliations[0].raw_affiliation_string | CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Mesoscience and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, China |
| authorships[0].affiliations[1].institution_ids | https://openalex.org/I190632392 |
| authorships[0].affiliations[1].raw_affiliation_string | Energy Engineering, Division of Energy Science, Luleå University of Technology, Luleå, Sweden |
| authorships[0].institutions[0].id | https://openalex.org/I4210133325 |
| authorships[0].institutions[0].ror | https://ror.org/03j4x9j18 |
| authorships[0].institutions[0].type | facility |
| authorships[0].institutions[0].lineage | https://openalex.org/I19820366, https://openalex.org/I4210133325 |
| authorships[0].institutions[0].country_code | CN |
| authorships[0].institutions[0].display_name | Institute of Process Engineering |
| authorships[0].institutions[1].id | https://openalex.org/I190632392 |
| authorships[0].institutions[1].ror | https://ror.org/016st3p78 |
| authorships[0].institutions[1].type | education |
| authorships[0].institutions[1].lineage | https://openalex.org/I190632392 |
| authorships[0].institutions[1].country_code | SE |
| authorships[0].institutions[1].display_name | Luleå University of Technology |
| authorships[0].author_position | first |
| authorships[0].raw_author_name | Hongling Qin |
| authorships[0].is_corresponding | False |
| authorships[0].raw_affiliation_strings | CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Mesoscience and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, China, Energy Engineering, Division of Energy Science, Luleå University of Technology, Luleå, Sweden |
| authorships[1].author.id | https://openalex.org/A5115694846 |
| authorships[1].author.orcid | https://orcid.org/0009-0004-1657-0531 |
| authorships[1].author.display_name | Ke Wang |
| authorships[1].countries | CN |
| authorships[1].affiliations[0].institution_ids | https://openalex.org/I4210149193 |
| authorships[1].affiliations[0].raw_affiliation_string | Longzihu New Energy Laboratory, Zhengzhou Institute of Emerging Industrial Technology, Henan University, Zhengzhou, China |
| authorships[1].affiliations[1].institution_ids | https://openalex.org/I4210133325 |
| authorships[1].affiliations[1].raw_affiliation_string | CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Mesoscience and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, China |
| authorships[1].institutions[0].id | https://openalex.org/I4210133325 |
| authorships[1].institutions[0].ror | https://ror.org/03j4x9j18 |
| authorships[1].institutions[0].type | facility |
| authorships[1].institutions[0].lineage | https://openalex.org/I19820366, https://openalex.org/I4210133325 |
| authorships[1].institutions[0].country_code | CN |
| authorships[1].institutions[0].display_name | Institute of Process Engineering |
| authorships[1].institutions[1].id | https://openalex.org/I4210149193 |
| authorships[1].institutions[1].ror | https://ror.org/05wzb4s27 |
| authorships[1].institutions[1].type | other |
| authorships[1].institutions[1].lineage | https://openalex.org/I4210149193 |
| authorships[1].institutions[1].country_code | CN |
| authorships[1].institutions[1].display_name | Zhengzhou Institute of Emerging Industrial Technology |
| authorships[1].author_position | middle |
| authorships[1].raw_author_name | Ke Wang |
| authorships[1].is_corresponding | False |
| authorships[1].raw_affiliation_strings | CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Mesoscience and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, China, Longzihu New Energy Laboratory, Zhengzhou Institute of Emerging Industrial Technology, Henan University, Zhengzhou, China |
| authorships[2].author.id | https://openalex.org/A5110665453 |
| authorships[2].author.orcid | |
| authorships[2].author.display_name | Xifei Ma |
| authorships[2].countries | CN |
| authorships[2].affiliations[0].institution_ids | https://openalex.org/I4210165038 |
| authorships[2].affiliations[0].raw_affiliation_string | School of Chemical Engineering, University of Chinese Academy of Sciences, Beijing, China |
| authorships[2].affiliations[1].institution_ids | https://openalex.org/I4210133325 |
| authorships[2].affiliations[1].raw_affiliation_string | CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Mesoscience and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, China |
| authorships[2].institutions[0].id | https://openalex.org/I4210133325 |
| authorships[2].institutions[0].ror | https://ror.org/03j4x9j18 |
| authorships[2].institutions[0].type | facility |
| authorships[2].institutions[0].lineage | https://openalex.org/I19820366, https://openalex.org/I4210133325 |
| authorships[2].institutions[0].country_code | CN |
| authorships[2].institutions[0].display_name | Institute of Process Engineering |
| authorships[2].institutions[1].id | https://openalex.org/I4210165038 |
| authorships[2].institutions[1].ror | https://ror.org/05qbk4x57 |
| authorships[2].institutions[1].type | education |
| authorships[2].institutions[1].lineage | https://openalex.org/I19820366, https://openalex.org/I4210165038 |
| authorships[2].institutions[1].country_code | CN |
| authorships[2].institutions[1].display_name | University of Chinese Academy of Sciences |
| authorships[2].author_position | middle |
| authorships[2].raw_author_name | Xifei Ma |
| authorships[2].is_corresponding | False |
| authorships[2].raw_affiliation_strings | CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Mesoscience and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, China, School of Chemical Engineering, University of Chinese Academy of Sciences, Beijing, China |
| authorships[3].author.id | https://openalex.org/A5101486639 |
| authorships[3].author.orcid | https://orcid.org/0000-0001-9841-8285 |
| authorships[3].author.display_name | Fangfang Li |
| authorships[3].countries | SE |
| authorships[3].affiliations[0].institution_ids | https://openalex.org/I190632392 |
| authorships[3].affiliations[0].raw_affiliation_string | Energy Engineering, Division of Energy Science, Luleå University of Technology, Luleå, Sweden |
| authorships[3].institutions[0].id | https://openalex.org/I190632392 |
| authorships[3].institutions[0].ror | https://ror.org/016st3p78 |
| authorships[3].institutions[0].type | education |
| authorships[3].institutions[0].lineage | https://openalex.org/I190632392 |
| authorships[3].institutions[0].country_code | SE |
| authorships[3].institutions[0].display_name | Luleå University of Technology |
| authorships[3].author_position | middle |
| authorships[3].raw_author_name | Fangfang Li |
| authorships[3].is_corresponding | False |
| authorships[3].raw_affiliation_strings | Energy Engineering, Division of Energy Science, Luleå University of Technology, Luleå, Sweden |
| authorships[4].author.id | https://openalex.org/A5101682999 |
| authorships[4].author.orcid | https://orcid.org/0000-0003-1394-7925 |
| authorships[4].author.display_name | Yanrong Liu |
| authorships[4].countries | CN |
| authorships[4].affiliations[0].institution_ids | https://openalex.org/I4210165038 |
| authorships[4].affiliations[0].raw_affiliation_string | School of Chemical Engineering, University of Chinese Academy of Sciences, Beijing, China |
| authorships[4].affiliations[1].institution_ids | https://openalex.org/I4210149193 |
| authorships[4].affiliations[1].raw_affiliation_string | Longzihu New Energy Laboratory, Zhengzhou Institute of Emerging Industrial Technology, Henan University, Zhengzhou, China |
| authorships[4].affiliations[2].institution_ids | https://openalex.org/I4210133325 |
| authorships[4].affiliations[2].raw_affiliation_string | CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Mesoscience and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, China |
| authorships[4].institutions[0].id | https://openalex.org/I4210133325 |
| authorships[4].institutions[0].ror | https://ror.org/03j4x9j18 |
| authorships[4].institutions[0].type | facility |
| authorships[4].institutions[0].lineage | https://openalex.org/I19820366, https://openalex.org/I4210133325 |
| authorships[4].institutions[0].country_code | CN |
| authorships[4].institutions[0].display_name | Institute of Process Engineering |
| authorships[4].institutions[1].id | https://openalex.org/I4210165038 |
| authorships[4].institutions[1].ror | https://ror.org/05qbk4x57 |
| authorships[4].institutions[1].type | education |
| authorships[4].institutions[1].lineage | https://openalex.org/I19820366, https://openalex.org/I4210165038 |
| authorships[4].institutions[1].country_code | CN |
| authorships[4].institutions[1].display_name | University of Chinese Academy of Sciences |
| authorships[4].institutions[2].id | https://openalex.org/I4210149193 |
| authorships[4].institutions[2].ror | https://ror.org/05wzb4s27 |
| authorships[4].institutions[2].type | other |
| authorships[4].institutions[2].lineage | https://openalex.org/I4210149193 |
| authorships[4].institutions[2].country_code | CN |
| authorships[4].institutions[2].display_name | Zhengzhou Institute of Emerging Industrial Technology |
| authorships[4].author_position | middle |
| authorships[4].raw_author_name | Yanrong Liu |
| authorships[4].is_corresponding | True |
| authorships[4].raw_affiliation_strings | CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Mesoscience and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, China, Longzihu New Energy Laboratory, Zhengzhou Institute of Emerging Industrial Technology, Henan University, Zhengzhou, China, School of Chemical Engineering, University of Chinese Academy of Sciences, Beijing, China |
| authorships[5].author.id | https://openalex.org/A5091790476 |
| authorships[5].author.orcid | https://orcid.org/0000-0002-0200-9960 |
| authorships[5].author.display_name | Xiaoyan Ji |
| authorships[5].countries | SE |
| authorships[5].affiliations[0].institution_ids | https://openalex.org/I190632392 |
| authorships[5].affiliations[0].raw_affiliation_string | Energy Engineering, Division of Energy Science, Luleå University of Technology, Luleå, Sweden |
| authorships[5].institutions[0].id | https://openalex.org/I190632392 |
| authorships[5].institutions[0].ror | https://ror.org/016st3p78 |
| authorships[5].institutions[0].type | education |
| authorships[5].institutions[0].lineage | https://openalex.org/I190632392 |
| authorships[5].institutions[0].country_code | SE |
| authorships[5].institutions[0].display_name | Luleå University of Technology |
| authorships[5].author_position | last |
| authorships[5].raw_author_name | Xiaoyan Ji |
| authorships[5].is_corresponding | True |
| authorships[5].raw_affiliation_strings | Energy Engineering, Division of Energy Science, Luleå University of Technology, Luleå, Sweden |
| has_content.pdf | False |
| has_content.grobid_xml | False |
| is_paratext | False |
| open_access.is_oa | True |
| open_access.oa_url | https://doi.org/10.3389/fchem.2024.1480468 |
| open_access.oa_status | gold |
| open_access.any_repository_has_fulltext | False |
| created_date | 2024-11-01T00:00:00 |
| display_name | Predicting the solubility of CO2 and N2 in ionic liquids based on COSMO-RS and machine learning |
| has_fulltext | False |
| is_retracted | False |
| updated_date | 2025-11-06T03:46:38.306776 |
| primary_topic.id | https://openalex.org/T10480 |
| primary_topic.field.id | https://openalex.org/fields/15 |
| primary_topic.field.display_name | Chemical Engineering |
| primary_topic.score | 0.9995999932289124 |
| primary_topic.domain.id | https://openalex.org/domains/3 |
| primary_topic.domain.display_name | Physical Sciences |
| primary_topic.subfield.id | https://openalex.org/subfields/1503 |
| primary_topic.subfield.display_name | Catalysis |
| primary_topic.display_name | Ionic liquids properties and applications |
| related_works | https://openalex.org/W2002226878, https://openalex.org/W2072536863, https://openalex.org/W2912484274, https://openalex.org/W2352741502, https://openalex.org/W2074311840, https://openalex.org/W1665311040, https://openalex.org/W2096392387, https://openalex.org/W2007592698, https://openalex.org/W2062618270, https://openalex.org/W3186205982 |
| cited_by_count | 5 |
| counts_by_year[0].year | 2025 |
| counts_by_year[0].cited_by_count | 5 |
| locations_count | 5 |
| best_oa_location.id | doi:10.3389/fchem.2024.1480468 |
| best_oa_location.is_oa | True |
| best_oa_location.source.id | https://openalex.org/S2764970645 |
| best_oa_location.source.issn | 2296-2646 |
| best_oa_location.source.type | journal |
| best_oa_location.source.is_oa | True |
| best_oa_location.source.issn_l | 2296-2646 |
| best_oa_location.source.is_core | True |
| best_oa_location.source.is_in_doaj | True |
| best_oa_location.source.display_name | Frontiers in Chemistry |
| best_oa_location.source.host_organization | https://openalex.org/P4310320527 |
| best_oa_location.source.host_organization_name | Frontiers Media |
| best_oa_location.source.host_organization_lineage | https://openalex.org/P4310320527 |
| best_oa_location.source.host_organization_lineage_names | Frontiers Media |
| best_oa_location.license | cc-by |
| best_oa_location.pdf_url | |
| best_oa_location.version | publishedVersion |
| best_oa_location.raw_type | journal-article |
| best_oa_location.license_id | https://openalex.org/licenses/cc-by |
| best_oa_location.is_accepted | True |
| best_oa_location.is_published | True |
| best_oa_location.raw_source_name | Frontiers in Chemistry |
| best_oa_location.landing_page_url | https://doi.org/10.3389/fchem.2024.1480468 |
| primary_location.id | doi:10.3389/fchem.2024.1480468 |
| primary_location.is_oa | True |
| primary_location.source.id | https://openalex.org/S2764970645 |
| primary_location.source.issn | 2296-2646 |
| primary_location.source.type | journal |
| primary_location.source.is_oa | True |
| primary_location.source.issn_l | 2296-2646 |
| primary_location.source.is_core | True |
| primary_location.source.is_in_doaj | True |
| primary_location.source.display_name | Frontiers in Chemistry |
| primary_location.source.host_organization | https://openalex.org/P4310320527 |
| primary_location.source.host_organization_name | Frontiers Media |
| primary_location.source.host_organization_lineage | https://openalex.org/P4310320527 |
| primary_location.source.host_organization_lineage_names | Frontiers Media |
| primary_location.license | cc-by |
| primary_location.pdf_url | |
| primary_location.version | publishedVersion |
| primary_location.raw_type | journal-article |
| primary_location.license_id | https://openalex.org/licenses/cc-by |
| primary_location.is_accepted | True |
| primary_location.is_published | True |
| primary_location.raw_source_name | Frontiers in Chemistry |
| primary_location.landing_page_url | https://doi.org/10.3389/fchem.2024.1480468 |
| publication_date | 2024-10-31 |
| publication_year | 2024 |
| referenced_works | https://openalex.org/W837257024, https://openalex.org/W4400049449, https://openalex.org/W2561941619, https://openalex.org/W2048437207, https://openalex.org/W1966219611, https://openalex.org/W2323709266, https://openalex.org/W2740442479, https://openalex.org/W4383558526, https://openalex.org/W2130698284, https://openalex.org/W3207144108, https://openalex.org/W4250826037, https://openalex.org/W3034300274, https://openalex.org/W2295598076, https://openalex.org/W3084950272, https://openalex.org/W4221111406, https://openalex.org/W2594801182, https://openalex.org/W2203701194, https://openalex.org/W2322813282, https://openalex.org/W2985938386, https://openalex.org/W4296834464, https://openalex.org/W1988618775, https://openalex.org/W2117530986, https://openalex.org/W2751726229, https://openalex.org/W2903923564, https://openalex.org/W2969545998, https://openalex.org/W2462846023, https://openalex.org/W2073328513, https://openalex.org/W4382655410, https://openalex.org/W1995258983, https://openalex.org/W4383896362, https://openalex.org/W2295332831, https://openalex.org/W3109795636, https://openalex.org/W2091705787, https://openalex.org/W2323121619, https://openalex.org/W2003617032, https://openalex.org/W2791063156, https://openalex.org/W4367397310, https://openalex.org/W4324094538, https://openalex.org/W76300175, https://openalex.org/W3044445723, https://openalex.org/W2278230979, https://openalex.org/W2170735980, https://openalex.org/W3123851176, https://openalex.org/W2971939378, https://openalex.org/W2030986885, https://openalex.org/W3021934323, https://openalex.org/W2015236127, https://openalex.org/W4390511770, https://openalex.org/W4391467112, https://openalex.org/W2013080824, https://openalex.org/W4376130007, https://openalex.org/W4388440627, https://openalex.org/W2803362190, https://openalex.org/W3114912503, https://openalex.org/W4281644020, https://openalex.org/W2225485269, https://openalex.org/W2028755875, https://openalex.org/W2344080047, https://openalex.org/W2614574507, https://openalex.org/W2564811697, https://openalex.org/W4391134616, https://openalex.org/W2092150426, https://openalex.org/W2766886695, https://openalex.org/W2770934075, https://openalex.org/W1971362027, https://openalex.org/W2004022811, https://openalex.org/W2513199820, https://openalex.org/W2299270074, https://openalex.org/W2555962233, https://openalex.org/W2470154388, https://openalex.org/W3014565610 |
| referenced_works_count | 71 |
| abstract_inverted_index., | 44 |
| abstract_inverted_index.. | 225 |
| abstract_inverted_index.2 | 40, 43, 67, 70, 80, 83, 152, 179, 210, 224 |
| abstract_inverted_index.N | 42, 69, 82, 178, 223 |
| abstract_inverted_index.a | 10, 46, 134 |
| abstract_inverted_index.As | 0 |
| abstract_inverted_index.CO | 39, 66, 79, 151, 209 |
| abstract_inverted_index.In | 27, 168 |
| abstract_inverted_index.To | 99 |
| abstract_inverted_index.an | 171, 201, 212 |
| abstract_inverted_index.as | 24, 56 |
| abstract_inverted_index.be | 6 |
| abstract_inverted_index.in | 71, 84 |
| abstract_inverted_index.is | 9, 162 |
| abstract_inverted_index.of | 21, 38, 65, 78, 94, 104, 122, 150, 176, 203, 208, 217, 222 |
| abstract_inverted_index.on | 62, 91 |
| abstract_inverted_index.to | 5, 13, 34, 114, 132, 166 |
| abstract_inverted_index.ILs | 72, 85 |
| abstract_inverted_index.The | 137 |
| abstract_inverted_index.and | 41, 68, 81, 97, 119, 124, 154, 211 |
| abstract_inverted_index.can | 145 |
| abstract_inverted_index.for | 17, 50, 205, 219 |
| abstract_inverted_index.gas | 25 |
| abstract_inverted_index.the | 19, 36, 57, 63, 76, 92, 102, 111, 116, 120, 141, 148, 155, 177, 182, 191, 197, 206, 220 |
| abstract_inverted_index.two | 106 |
| abstract_inverted_index.was | 54, 86 |
| abstract_inverted_index.AARD | 202 |
| abstract_inverted_index.ILs, | 22 |
| abstract_inverted_index.data | 61 |
| abstract_inverted_index.from | 164, 185 |
| abstract_inverted_index.need | 12 |
| abstract_inverted_index.real | 51 |
| abstract_inverted_index.show | 139 |
| abstract_inverted_index.such | 23, 170 |
| abstract_inverted_index.that | 140, 175 |
| abstract_inverted_index.this | 28 |
| abstract_inverted_index.used | 55 |
| abstract_inverted_index.well | 195 |
| abstract_inverted_index.were | 32, 73, 108 |
| abstract_inverted_index.with | 143, 190, 196, 200 |
| abstract_inverted_index.(AAD) | 216 |
| abstract_inverted_index.(ILs) | 3 |
| abstract_inverted_index.0.15% | 218 |
| abstract_inverted_index.0.94% | 204 |
| abstract_inverted_index.43.4% | 165 |
| abstract_inverted_index.Then, | 75 |
| abstract_inverted_index.agree | 194 |
| abstract_inverted_index.based | 90 |
| abstract_inverted_index.i.e., | 110 |
| abstract_inverted_index.ionic | 1 |
| abstract_inverted_index.model | 49, 193 |
| abstract_inverted_index.there | 8 |
| abstract_inverted_index.used, | 109 |
| abstract_inverted_index.using | 88 |
| abstract_inverted_index.where | 45 |
| abstract_inverted_index.work, | 29 |
| abstract_inverted_index.(AARD) | 161 |
| abstract_inverted_index.11.9%. | 167 |
| abstract_inverted_index.First, | 59 |
| abstract_inverted_index.basis. | 58 |
| abstract_inverted_index.cannot | 173 |
| abstract_inverted_index.gases. | 98 |
| abstract_inverted_index.hybrid | 135 |
| abstract_inverted_index.model. | 136 |
| abstract_inverted_index.obtain | 35 |
| abstract_inverted_index.option | 172 |
| abstract_inverted_index.anions, | 96 |
| abstract_inverted_index.average | 157, 213 |
| abstract_inverted_index.correct | 115 |
| abstract_inverted_index.develop | 14, 133 |
| abstract_inverted_index.further | 100 |
| abstract_inverted_index.growing | 11 |
| abstract_inverted_index.improve | 101, 147, 174 |
| abstract_inverted_index.liquids | 2 |
| abstract_inverted_index.machine | 125, 187 |
| abstract_inverted_index.methods | 16 |
| abstract_inverted_index.options | 107 |
| abstract_inverted_index.results | 118, 138, 183 |
| abstract_inverted_index.(eXtreme | 128 |
| abstract_inverted_index.COSMO-RS | 89, 117, 123, 142, 192 |
| abstract_inverted_index.Gradient | 129 |
| abstract_inverted_index.Instead, | 181 |
| abstract_inverted_index.XGBoost) | 131 |
| abstract_inverted_index.absolute | 158, 214 |
| abstract_inverted_index.cations, | 95 |
| abstract_inverted_index.continue | 4 |
| abstract_inverted_index.coupling | 186 |
| abstract_inverted_index.dataset. | 180 |
| abstract_inverted_index.employed | 33 |
| abstract_inverted_index.learning | 126, 188 |
| abstract_inverted_index.obtained | 184 |
| abstract_inverted_index.relative | 159 |
| abstract_inverted_index.results, | 199 |
| abstract_inverted_index.solvents | 52 |
| abstract_inverted_index.Boosting, | 130 |
| abstract_inverted_index.COSMO-RS, | 105 |
| abstract_inverted_index.contrast, | 169 |
| abstract_inverted_index.decreased | 163 |
| abstract_inverted_index.deviation | 160, 215 |
| abstract_inverted_index.different | 30 |
| abstract_inverted_index.predicted | 87 |
| abstract_inverted_index.prepared, | 7 |
| abstract_inverted_index.screening | 48 |
| abstract_inverted_index.(COSMO-RS) | 53 |
| abstract_inverted_index.algorithms | 127, 189 |
| abstract_inverted_index.collected. | 74 |
| abstract_inverted_index.correction | 144 |
| abstract_inverted_index.expression | 113 |
| abstract_inverted_index.polynomial | 112 |
| abstract_inverted_index.predicting | 18 |
| abstract_inverted_index.prediction | 149 |
| abstract_inverted_index.properties | 20 |
| abstract_inverted_index.solubility | 37, 64, 77, 207, 221 |
| abstract_inverted_index.strategies | 31 |
| abstract_inverted_index.structures | 93 |
| abstract_inverted_index.combination | 121 |
| abstract_inverted_index.performance | 103 |
| abstract_inverted_index.solubility, | 153 |
| abstract_inverted_index.solubility. | 26 |
| abstract_inverted_index.theoretical | 15 |
| abstract_inverted_index.experimental | 60, 198 |
| abstract_inverted_index.corresponding | 156 |
| abstract_inverted_index.significantly | 146 |
| abstract_inverted_index.conductor-like | 47 |
| cited_by_percentile_year.max | 98 |
| cited_by_percentile_year.min | 97 |
| corresponding_author_ids | https://openalex.org/A5101682999, https://openalex.org/A5091790476 |
| countries_distinct_count | 2 |
| institutions_distinct_count | 6 |
| corresponding_institution_ids | https://openalex.org/I190632392, https://openalex.org/I4210133325, https://openalex.org/I4210149193, https://openalex.org/I4210165038 |
| citation_normalized_percentile.value | 0.67315104 |
| citation_normalized_percentile.is_in_top_1_percent | False |
| citation_normalized_percentile.is_in_top_10_percent | False |