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Adsorbate Interactions in Metal-Organic Frameworks: Mechanistic and Thermodynamic Insights for Applications From Energy to Defense
Adsorbate Interactions in Metal-Organic Frameworks: Mechanistic and Thermodynamic Insights for Applications From Energy to Defense
상세정보
- 자료유형
- 학위논문 서양
- 최종처리일시
- 20260202103156
- ISBN
- 9798315799870
- DDC
- 540
- 저자명
- Fahy, Kira May.
- 서명/저자
- Adsorbate Interactions in Metal-Organic Frameworks: Mechanistic and Thermodynamic Insights for Applications From Energy to Defense
- 발행사항
- [Sl] : Northwestern University, 2025
- 발행사항
- Ann Arbor : ProQuest Dissertations & Theses, 2025
- 형태사항
- 304 p
- 주기사항
- Source: Dissertations Abstracts International, Volume: 86-12, Section: B.
- 주기사항
- Advisor: Farha, Omar K.
- 학위논문주기
- Thesis (Ph.D.)--Northwestern University, 2025.
- 초록/해제
- 요약The mitigation of toxic chemicals is of paramount importance for the health and safety of our communities. No such chemicals stand out in their proclivity to harm humans and the environment more so than greenhouse gases (such as CO2) and organophosphorus compounds (such as nerve agents and pesticides). Metal-organic frameworks (MOFs) have emerged as a class of highly porous, crystalline, and tunable materials with great promise in the capture and detoxification or upcycling of many harmful chemicals. This dissertation investigates MOF/adsorbate binding interactions to elucidate fundamental thermodynamic principles governing sorption and catalytic behavior. The study progresses from simple small-molecule gas adsorption systems to complex MOF composites with large metal-oxo clusters, culminating in the application of the developed methodologies to structurally and chemically diverse MOFs. The overarching goal is to understand molecular-level thermodynamic binding phenomena that dictate bulk material properties, ultimately guiding the design of improved MOF sorbents and catalysts.Chapter 2 introduces a post-synthetic modification strategy to prepare a new MOF with enhanced electronic properties, leading to more thermodynamically favorable CO2 adsorption. Chapter 3 explores the binding interactions between an organophosphorus compound and a series of MOFs with varying catalytic performances, proposing a thermodynamic mechanism for catalyst inhibition. In Chapter 4, the characterization techniques developed in Chapter 3 are expanded to establish structure-property relationships governing the thermodynamics of MOF composite formation. Finally, Chapter 5 broadens the scope of organophosphorus-MOF binding studies, integrating isothermal titration calorimetry (ITC) with advanced analytical techniques to provide deeper insights into binding motifs and thermodynamic driving forces. Together, these findings contribute to the fundamental understanding of MOF sorption and catalytic behavior, offering new perspectives on rational material design for targeted applications.
- 일반주제명
- Chemistry
- 일반주제명
- Inorganic chemistry
- 일반주제명
- Analytical chemistry
- 일반주제명
- Nanoscience
- 키워드
- CO2 adsorption
- 키워드
- Catalysis
- 키워드
- Nanotechnology
- 키워드
- Toxic chemicals
- 기타저자
- Northwestern University Chemistry
- 기본자료저록
- Dissertations Abstracts International. 86-12B.
- 전자적 위치 및 접속
- 로그인 후 원문을 볼 수 있습니다.
MARC
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■006m o d
■007cr#unu||||||||
■020 ▼a9798315799870
■035 ▼a(MiAaPQ)AAI31997909
■040 ▼aMiAaPQ▼cMiAaPQ
■0820 ▼a540
■1001 ▼aFahy, Kira May.▼0(orcid)0000-0001-6490-3004
■24510▼aAdsorbate Interactions in Metal-Organic Frameworks: Mechanistic and Thermodynamic Insights for Applications From Energy to Defense
■260 ▼a[Sl]▼bNorthwestern University▼c2025
■260 1▼aAnn Arbor▼bProQuest Dissertations & Theses▼c2025
■300 ▼a304 p
■500 ▼aSource: Dissertations Abstracts International, Volume: 86-12, Section: B.
■500 ▼aAdvisor: Farha, Omar K.
■5021 ▼aThesis (Ph.D.)--Northwestern University, 2025.
■520 ▼aThe mitigation of toxic chemicals is of paramount importance for the health and safety of our communities. No such chemicals stand out in their proclivity to harm humans and the environment more so than greenhouse gases (such as CO2) and organophosphorus compounds (such as nerve agents and pesticides). Metal-organic frameworks (MOFs) have emerged as a class of highly porous, crystalline, and tunable materials with great promise in the capture and detoxification or upcycling of many harmful chemicals. This dissertation investigates MOF/adsorbate binding interactions to elucidate fundamental thermodynamic principles governing sorption and catalytic behavior. The study progresses from simple small-molecule gas adsorption systems to complex MOF composites with large metal-oxo clusters, culminating in the application of the developed methodologies to structurally and chemically diverse MOFs. The overarching goal is to understand molecular-level thermodynamic binding phenomena that dictate bulk material properties, ultimately guiding the design of improved MOF sorbents and catalysts.Chapter 2 introduces a post-synthetic modification strategy to prepare a new MOF with enhanced electronic properties, leading to more thermodynamically favorable CO2 adsorption. Chapter 3 explores the binding interactions between an organophosphorus compound and a series of MOFs with varying catalytic performances, proposing a thermodynamic mechanism for catalyst inhibition. In Chapter 4, the characterization techniques developed in Chapter 3 are expanded to establish structure-property relationships governing the thermodynamics of MOF composite formation. Finally, Chapter 5 broadens the scope of organophosphorus-MOF binding studies, integrating isothermal titration calorimetry (ITC) with advanced analytical techniques to provide deeper insights into binding motifs and thermodynamic driving forces. Together, these findings contribute to the fundamental understanding of MOF sorption and catalytic behavior, offering new perspectives on rational material design for targeted applications.
■590 ▼aSchool code: 0163.
■650 4▼aChemistry
■650 4▼aInorganic chemistry
■650 4▼aAnalytical chemistry
■650 4▼aNanoscience
■653 ▼aCO2 adsorption
■653 ▼aCatalysis
■653 ▼aMetal-organic frameworks
■653 ▼aNanotechnology
■653 ▼aToxic chemicals
■690 ▼a0485
■690 ▼a0488
■690 ▼a0565
■690 ▼a0486
■71020▼aNorthwestern University▼bChemistry.
■7730 ▼tDissertations Abstracts International▼g86-12B.
■790 ▼a0163
■791 ▼aPh.D.
■792 ▼a2025
■793 ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T17357254▼nKERIS▼z이 자료의 원문은 한국교육학술정보원에서 제공합니다.
