서브메뉴
검색
Exploring the Adsorption of Guest Molecules in Metal-Organic Frameworks: A Many-Body Formalism Approach
Exploring the Adsorption of Guest Molecules in Metal-Organic Frameworks: A Many-Body Formalism Approach
상세정보
- 자료유형
- 학위논문 서양
- 최종처리일시
- 20250211151329
- ISBN
- 9798384044192
- DDC
- 540
- 저자명
- Ho, Ching-Hwa.
- 서명/저자
- Exploring the Adsorption of Guest Molecules in Metal-Organic Frameworks: A Many-Body Formalism Approach
- 발행사항
- [Sl] : University of California, San Diego, 2024
- 발행사항
- Ann Arbor : ProQuest Dissertations & Theses, 2024
- 형태사항
- 118 p
- 주기사항
- Source: Dissertations Abstracts International, Volume: 86-03, Section: B.
- 주기사항
- Advisor: Paesani, Francesco.
- 학위논문주기
- Thesis (Ph.D.)--University of California, San Diego, 2024.
- 초록/해제
- 요약The utilization of metal-organic frameworks for adsorbing guest molecules has attracted significant interest due to their diverse physical and chemical properties. The capture of atmospheric water and carbon dioxide holds particular importance in addressing challenges related to climate change. In this dissertation, we employ the many-body potential energy functions of water and carbon dioxide to investigate their thermodynamic and dynamical properties as they are adsorbed within several metal-organic frameworks using molecular dynamics simulations. Our investigations not only serve to validate our molecular models through the agreement of experimental and simulation observations but also offer valuable molecular insights that are challenging to obtain through experimental approaches. Furthermore, this research contributes to the advancement of methodologies for modeling metal-organic frameworks and represents a significant reference in the computational exploration of guest molecules within metal-organic frameworks.
- 일반주제명
- Chemistry
- 일반주제명
- Computational chemistry
- 일반주제명
- Physics
- 일반주제명
- Atmospheric chemistry
- 일반주제명
- Molecular chemistry
- 키워드
- Carbon dioxide
- 키워드
- Guest molecules
- 키워드
- Water
- 기타저자
- University of California, San Diego Chemistry and Biochemistry
- 기본자료저록
- Dissertations Abstracts International. 86-03B.
- 전자적 위치 및 접속
- 로그인 후 원문을 볼 수 있습니다.
MARC
008250123s2024 us c eng d■001000017161244
■00520250211151329
■006m o d
■007cr#unu||||||||
■020 ▼a9798384044192
■035 ▼a(MiAaPQ)AAI31240769
■040 ▼aMiAaPQ▼cMiAaPQ
■0820 ▼a540
■1001 ▼aHo, Ching-Hwa.
■24510▼aExploring the Adsorption of Guest Molecules in Metal-Organic Frameworks: A Many-Body Formalism Approach
■260 ▼a[Sl]▼bUniversity of California, San Diego▼c2024
■260 1▼aAnn Arbor▼bProQuest Dissertations & Theses▼c2024
■300 ▼a118 p
■500 ▼aSource: Dissertations Abstracts International, Volume: 86-03, Section: B.
■500 ▼aAdvisor: Paesani, Francesco.
■5021 ▼aThesis (Ph.D.)--University of California, San Diego, 2024.
■520 ▼aThe utilization of metal-organic frameworks for adsorbing guest molecules has attracted significant interest due to their diverse physical and chemical properties. The capture of atmospheric water and carbon dioxide holds particular importance in addressing challenges related to climate change. In this dissertation, we employ the many-body potential energy functions of water and carbon dioxide to investigate their thermodynamic and dynamical properties as they are adsorbed within several metal-organic frameworks using molecular dynamics simulations. Our investigations not only serve to validate our molecular models through the agreement of experimental and simulation observations but also offer valuable molecular insights that are challenging to obtain through experimental approaches. Furthermore, this research contributes to the advancement of methodologies for modeling metal-organic frameworks and represents a significant reference in the computational exploration of guest molecules within metal-organic frameworks.
■590 ▼aSchool code: 0033.
■650 4▼aChemistry
■650 4▼aComputational chemistry
■650 4▼aPhysics
■650 4▼aAtmospheric chemistry
■650 4▼aMolecular chemistry
■653 ▼aMetal-organic frameworks
■653 ▼aCarbon dioxide
■653 ▼aMolecular dynamics
■653 ▼aGuest molecules
■653 ▼aWater
■690 ▼a0485
■690 ▼a0219
■690 ▼a0605
■690 ▼a0431
■690 ▼a0371
■71020▼aUniversity of California, San Diego▼bChemistry and Biochemistry.
■7730 ▼tDissertations Abstracts International▼g86-03B.
■790 ▼a0033
■791 ▼aPh.D.
■792 ▼a2024
■793 ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T17161244▼nKERIS▼z이 자료의 원문은 한국교육학술정보원에서 제공합니다.
