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Solid-State NMR of CO2 Mineralization and NMR Crystallography
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| 자료유형 | 학위논문 |
|---|---|
| 서명/저자사항 | Solid-State NMR of CO2 Mineralization and NMR Crystallography. |
| 개인저자 | Cui, Jinlei. |
| 단체저자명 | Washington University in St. Louis. Chemistry. |
| 발행사항 | [S.l.]: Washington University in St. Louis., 2019. |
| 발행사항 | Ann Arbor: ProQuest Dissertations & Theses, 2019. |
| 형태사항 | 148 p. |
| 기본자료 저록 | Dissertations Abstracts International 80-12B. Dissertation Abstract International |
| ISBN | 9781392223048 |
| 학위논문주기 | Thesis (Ph.D.)--Washington University in St. Louis, 2019. |
| 일반주기 |
Source: Dissertations Abstracts International, Volume: 80-12, Section: B.
Publisher info.: Dissertation/Thesis. Advisor: Hayes, Sophia E. |
| 이용제한사항 | This item must not be sold to any third party vendors. |
| 요약 | The work described in this dissertation has been accomplished by using solid-state nuclear magnetic resonance (SSNMR) spectroscopy to investigate CO2 mineralization and to refine the positions of protons in the crystalline system. The reaction of forsterite (Mg2SiO4) and 13CO2 is presented here, which is measured using in-situ 13C NMR spectroscopy without removing the sample from the reactor. 29Si SSNMR is used to investigate the reaction of forsterite with 13CO2 in the presence of water or NaCl brine as a function of depth in the sample. Additionally, we also show that NMR crystallography can significantly improve structure refinement of hydrogens- positions in hydrated materials. 13C{1H} rotational-echo double-resonance (REDOR) and 13C chemical shift anisotropy (CSA) tensor values from SSNMR are exploited as the standard in NMR crystallography. The optimized atomic coordinates are validated by comparing DFT prediction to experimental data through 13C{1H} REDOR and 13C CSA tensors. The research presented herein demonstrates that solid-state NMR is a useful tool for studying the CO2 mineralization mechanism and the understanding of the crystalline structure of CO2 mineralization products. |
| 일반주제명 | Chemistry. Physical chemistry. |
| 언어 | 영어 |
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: 이 자료의 원문은 한국교육학술정보원에서 제공합니다. |
