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Molecular dynamics simulation data for the CO2-H2O interface
https://aist.repo.nii.ac.jp/records/2003352
https://aist.repo.nii.ac.jp/records/20033521cec5f1f-679c-44a3-b568-653e9b2b1f53
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CO2H2OinterfaceAbInitio.tar.gz (187 KB)
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readme.txt (143 B)
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| Item type | Research Data (v9)(1) | |||||
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| PubDate | 2025-05-15 | |||||
| Data name | ||||||
| Title | Molecular dynamics simulation data for the CO2-H2O interface | |||||
| Language | en | |||||
| Description of data | ||||||
| Description Type | Abstract | |||||
| Description | Molecular dynamics simulation data for the CO2-H2O interface under high temperature and pressure conditions and MDS-TDPCA data | |||||
| Language | en | |||||
| Author (Creator) name |
森下, 徹也
× 森下, 徹也 （代表作成者） |
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| Terms of Use | ||||||
| Rights Resource | https://creativecommons.org/licenses/by/4.0/deed.en | |||||
| Rights | Creative Commons Attribution 4.0 International | |||||
| Language | en | |||||
| Terms of Use | ||||||
| Rights | Provide the DOI and the link to the article in citing this material. | |||||
| Language | en | |||||
| Keyword | ||||||
| Language | ja | |||||
| Subject Scheme | Other | |||||
| Subject | 超臨界 | |||||
| Keyword | ||||||
| Language | ja | |||||
| Subject Scheme | Other | |||||
| Subject | 二酸化炭素 | |||||
| Keyword | ||||||
| Language | ja | |||||
| Subject Scheme | Other | |||||
| Subject | 分子動力学 | |||||
| Keyword | ||||||
| Language | ja | |||||
| Subject Scheme | Other | |||||
| Subject | 液液界面 | |||||
| Keyword | ||||||
| Language | ja | |||||
| Subject Scheme | Other | |||||
| Subject | 第一原理計算 | |||||
| Keyword | ||||||
| Language | en | |||||
| Subject Scheme | Other | |||||
| Subject | Supercritical | |||||
| Keyword | ||||||
| Language | en | |||||
| Subject Scheme | Other | |||||
| Subject | carbon dioxide | |||||
| Keyword | ||||||
| Language | en | |||||
| Subject Scheme | Other | |||||
| Subject | Molecular dynamics | |||||
| Keyword | ||||||
| Language | en | |||||
| Subject Scheme | Other | |||||
| Subject | liquid-liquid interface | |||||
| Keyword | ||||||
| Language | en | |||||
| Subject Scheme | Other | |||||
| Subject | ab initio calculation | |||||
| Keyword | ||||||
| Language | en | |||||
| Subject Scheme | Other | |||||
| Subject | CCUS | |||||
| Publisher | ||||||
| Publisher | National Institute of Advanced Industrial Science and Technology (AIST) | |||||
| Language | en | |||||
| Date | ||||||
| Date | 2025-05-15 | |||||
| Date Type | Issued | |||||
| Language | ||||||
| Language | eng | |||||
| Resource Type | ||||||
| Resource Type Identifier | http://purl.org/coar/resource_type/c_ddb1 | |||||
| Resource Type | dataset | |||||
| Identifier | ||||||
| Identifier | https://doi.org/10.57765/2003352 | |||||
| Identifier Type | DOI | |||||
| Relation | ||||||
| Language | en | |||||
| Related Title | Journal of Physical Chemistry B, 128, 5781 (2024) | |||||
