# Effects of CO<sub>2</sub> on the structure of silicate melts considering the degree of polymerization under pressure

https://mdr.nims.go.jp/datasets/ffef3d66-1128-4403-bee1-25ae043f3c49

## File

- [JMPS.pdf](https://mdr.nims.go.jp/filesets/3c85c1ec-4f4b-4920-a698-2ff51ef09866/download) ([Detail](https://mdr.nims.go.jp/filesets/3c85c1ec-4f4b-4920-a698-2ff51ef09866.md))

## Id

ffef3d66-1128-4403-bee1-25ae043f3c49

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-04-25T19:22:22.377071Z

## Updated at

2025-04-30T03:30:23.117255Z

## Published at

2025-04-30T03:23:12.567526Z

## Doi

https://doi.org/10.48505/nims.5456

## First published url

https://doi.org/10.2465/jmps.241126l

## Date published

2025-03-17

## Recorded date published

2025

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: Effects of CO<sub>2</sub> on the structure of silicate melts
    considering the degree of polymerization under pressure
  title_type: original
  lang: en

## Description

- description: 'Carbon dioxide (CO₂) is a prevalent volatile in the Earth’s interior,
    but its effect on the structural properties of silicate melts remains insufficiently
    understood. In this study, we explored the structure of carbon bearing Na2O–SiO2
    melts up to ~5 GPa using in-situ synchrotron X-ray diffraction (XRD) and classical
    molecular dynamics (MD) simulation. Both XRD and MD results showed that the intermediate-range
    structure of Na2Si3O7 melts was not modified by the addition of CO2. In contrast,
    MD simulation found that carbonate ions depolymerized the Si–O network structure
    in SiO2 melts by the formation of Si–CO32−–Si. It is suggested that the presence
    of network carbonate ions may contribute to the decrease of viscosity in the fully
    polymerized melts (NBO/T = 0). '
  description_type: abstract
  lang: und

## Creator

- name: Shino HAYAFUNE
  role: author
- name: Tatsuya SAKAMAKI
  role: author
- name: Haruki ICHIKAWA
  role: author
- name: Yohei ONODERA
  role: author
  orcid: https://orcid.org/0000-0002-3080-6991
  organization: National Institute for Materials Science
- name: Shinji KOHARA
  role: author
  orcid: https://orcid.org/0000-0001-9596-2680
  organization: National Institute for Materials Science
- name: Ken-ichi FUNAKOSHI
  role: author
- name: Akio SUZUKI
  role: author

## Contact agent



## Publisher

organization: Japan Association of Mineralogical Sciences

## Managing organization



## Keyword

- subject: シリカ
  schema: not_defined
- subject: 液体
  schema: not_defined
- subject: 高圧
  schema: not_defined
- subject: MDシミュレーション
  schema: not_defined

## Rights

- identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Journal of Mineralogical and Petrological Sciences
  issn: '13456296'
  volume: '120'
  issue: '1'
  article_number: 241126L

## Conference



## Related item



## Funding



## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



## Software



## Custom property



## Fileset

- id: 3c85c1ec-4f4b-4920-a698-2ff51ef09866
  filename: JMPS.pdf
  content_type: application/pdf
  size: 1555812
  md5: e6a91af621fb111926338ec94515507d

## Thumbnail

fileset_id: 3c85c1ec-4f4b-4920-a698-2ff51ef09866
filename: JMPS.pdf