Collaborative Research: Selective Oxidation Catalysis on Oxides Containing Pores of Molecular Dimensions

合作研究:含分子尺寸孔氧化物的选择性氧化催化

基本信息

  • 批准号:
    1803798
  • 负责人:
  • 金额:
    $ 33.47万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
    Standard Grant
  • 财政年份:
    2018
  • 资助国家:
    美国
  • 起止时间:
    2018-09-01 至 2021-08-31
  • 项目状态:
    已结题

项目摘要

Our modern standard of living depends upon the fuels that are needed for our transportation, and the chemicals that are used to make many of the materials of our many consumer products. These fuels and chemicals are predominantly derived from the conversion of fossil fuels into value-added chemicals and materials via catalytic reactions. Thus, the environmental footprint of our lifestyles can be significantly reduced with more efficient use and conversion of these raw materials. One example of a catalytic upgrading reaction is the conversion of shale gas to bulk chemical and fuel precursors. Conversion of the short, saturated hydrocarbon molecules (light alkanes) within shale gas to alkenes leads to a more reactive, and thus more valuable, chemical intermediate. This conversion involves the removal of hydrogen atoms and insertion of a more reactive carbon-carbon double bond. To perform this conversion at low temperatures requires use of a catalyst, and one such example is a mixed metal oxide catalyst. The objective of this project is to understand how the size and shape of pores within the mixed metal oxide may be engineered to more selectivity catalyze the oxidative alkane to alkene reaction. This project will probe the role of micropores in ordered bulk transition metal oxide catalysts in the selective hydrocarbon oxidation of small alkanes and alkanols. Ordered M1 phase mixed oxides contain one dimensional pores that are similar in size to the kinetic diameters of the reactants; examples include M1 phase mixed oxides of Mo V, Te and Nb and octahedral molecular sieves of Mn oxides. The project will correlate the oxidation rate ratios of linear versus branched alkanes to cycloalkanes to pore dimension, with consideration of pore sizes that exhibit size exclusivity. Kinetic and density functional theory (DFT) will probe selectivity with variations in pore geometry, reactant geometry, and surface reactivity. It is anticipated van der Walls stabilizations and steric hindrance may limit conversion to secondary byproducts, which may enhance selectivity by bypassing the thermodynamic driving forces for secondary oxidation reactions to secondary byproducts. Planned education and outreach activities will promote understanding of heterogeneous catalysis and its role in meeting the challenges of sustainable chemical production and energy efficiency. These activities will target students from underprivileged backgrounds, with an aim to increase their retention in science and engineering fields.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.
我们的现代生活水平取决于我们的交通所需的燃料和用于制造我们许多消费品的许多材料的化学物质。这些燃料和化学品主要来自通过催化反应将化石燃料转化为增值化学品和材料。因此,通过更有效地利用和转化这些原材料,我们的生活方式可以大大减少对环境的影响。催化升级反应的一个例子是将页岩气转化为散装化学品和燃料前体。页岩气中的短而饱和的碳氢化合物分子(轻烷烃)转化为烯烃会产生更活泼、更有价值的化学中间体。这种转化包括氢原子的去除和更活泼的碳碳双键的插入。在低温下进行这种转化需要使用催化剂,其中一个例子是混合金属氧化物催化剂。该项目的目的是了解如何设计混合金属氧化物中孔隙的大小和形状,以更有选择性地催化氧化烷烃到烯烃的反应。本项目将探索有序体过渡金属氧化物催化剂中微孔在小烷烃和烷烃选择性氧化中的作用。有序的M1相混合氧化物含有一维孔隙,其大小与反应物的动力学直径相似;例如M1相Mo、V、Te和Nb的混合氧化物和Mn氧化物的八面体分子筛。该项目将线性烷烃、支链烷烃和环烷烃的氧化率与孔隙尺寸相关联,并考虑孔隙尺寸的排他性。动力学和密度泛函理论(DFT)将通过孔隙几何形状、反应物几何形状和表面反应性的变化来探测选择性。预计范德沃尔斯稳定性和位阻可以限制转化为二级副产物,这可以通过绕过二级氧化反应到二级副产物的热力学驱动力来提高选择性。计划中的教育和外联活动将促进对多相催化作用及其在应付可持续化学品生产和能源效率的挑战方面的作用的了解。这些活动将针对来自贫困背景的学生,目的是提高他们在科学和工程领域的留用率。该奖项反映了美国国家科学基金会的法定使命,并通过使用基金会的知识价值和更广泛的影响审查标准进行评估,被认为值得支持。

项目成果

期刊论文数量(9)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
Dynamic Restructuring Induced Oxygen Activation on AgCu Near-Surface Alloys
AgCu 近表面合金的动态重组诱导氧活化
  • DOI:
    10.1021/acs.jpclett.0c00887
  • 发表时间:
    2020
  • 期刊:
  • 影响因子:
    0
  • 作者:
    Cramer, Laura A.;Liu, Yilang;Deshlahra, Prashant;Sykes, E. Charles
  • 通讯作者:
    Sykes, E. Charles
Enantioselective Effects in the Electrical Excitation of Amine Single-Molecule Rotors
胺单分子转子电激发的对映选择性效应
  • DOI:
    10.1021/acs.jpcc.0c10767
  • 发表时间:
    2021
  • 期刊:
  • 影响因子:
    0
  • 作者:
    Balema, Tedros A.;Liu, Yilang;Wasio, Natalie A.;Larson, Amanda M.;Patel, Dipna A.;Deshlahra, Prashant;Sykes, E. Charles
  • 通讯作者:
    Sykes, E. Charles
Roles of Enhancement of C−H Activation and Diminution of C−O Formation Within M1‐Phase Pores in Propane Selective Oxidation
  • DOI:
    10.1002/cctc.202001642
  • 发表时间:
    2020-11
  • 期刊:
  • 影响因子:
    4.5
  • 作者:
    Yilang Liu;Adam Twombly;Yanliu Dang;Anne Mirich;S. Suib;P. Deshlahra
  • 通讯作者:
    Yilang Liu;Adam Twombly;Yanliu Dang;Anne Mirich;S. Suib;P. Deshlahra
Cover Feature: Roles of Enhancement of C−H Activation and Diminution of C−O Formation Within M1‐Phase Pores in Propane Selective Oxidation (ChemCatChem 3/2021)
封面专题:丙烷选择性氧化中 M1-相孔内 C-H 活化的增强和 C-O 形成的减少的作用 (ChemCatChem 3/2021)
  • DOI:
    10.1002/cctc.202001984
  • 发表时间:
    2021
  • 期刊:
  • 影响因子:
    4.5
  • 作者:
    Liu, Yilang;Twombly, Adam;Dang, Yanliu;Mirich, Anne;Suib, Steven L.;Deshlahra, Prashant
  • 通讯作者:
    Deshlahra, Prashant
Comparison of structural and catalytic properties of monometallic Mo and V oxides and M1 phase mixed oxides for oxidative dehydrogenation
  • DOI:
    10.1016/j.cattod.2020.04.046
  • 发表时间:
    2020-04
  • 期刊:
  • 影响因子:
    5.3
  • 作者:
    Leelavathi Annamalai;Sopuruchukwu Ezenwa;Yanliu Dang;H. Tan;S. Suib;P. Deshlahra
  • 通讯作者:
    Leelavathi Annamalai;Sopuruchukwu Ezenwa;Yanliu Dang;H. Tan;S. Suib;P. Deshlahra
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Prashant Deshlahra其他文献

Investigating base-catalyzed aldol condensation reactions on alkali-free hydrotalcites and the role of thermal decomposition
  • DOI:
    10.1016/j.cej.2024.157061
  • 发表时间:
    2024-11-15
  • 期刊:
  • 影响因子:
  • 作者:
    Davi D. Petrolini;Ho Yi Lam;Liam Reardon;Evan Hu;Aiden Woodard;Prashant Deshlahra;Nathaniel M. Eagan
  • 通讯作者:
    Nathaniel M. Eagan

Prashant Deshlahra的其他文献

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{{ truncateString('Prashant Deshlahra', 18)}}的其他基金

CAREER: Understanding Effects of Surface Coverage and Catalyst Composition on Vinyl Acetate Synthesis
职业:了解表面覆盖率和催化剂成分对醋酸乙烯合成的影响
  • 批准号:
    2045675
  • 财政年份:
    2021
  • 资助金额:
    $ 33.47万
  • 项目类别:
    Continuing Grant
Understanding Structure-Function Relationships and Dynamical Restructuring in Near Surface Alloy Catalysts for Selective Oxidations
了解选择性氧化的近表面合金催化剂的结构-功能关系和动态重构
  • 批准号:
    2034911
  • 财政年份:
    2020
  • 资助金额:
    $ 33.47万
  • 项目类别:
    Standard Grant

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Research on the Rapid Growth Mechanism of KDP Crystal
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