SusChEM: Directing the distribution of biomass-derived molecules in porous materials

SusChEM：引导生物质衍生分子在多孔材料中的分布

• 批准号: 1512228
• 负责人: Susannah Scott
• 金额: $ 34.54万
• 依托单位: University of California-Santa Barbara
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-07-01 至 2019-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1512228&HistoricalAwards=false
• 关键词: SusChEM; Directing; distribution; biomass; derived

PI Name: Susannah L. ScottProposal Number: 1512228The sustainable production of important chemicals and fuels at large scale can be achieved by using renewable resources such as non-food biomass. The selective conversion of biomass-derived carbohydrates to specific chemicals in liquid water using porous solid catalysts is controlled in part by the molecular movement of biomass derived carbohydrate molecules into the porous structure of the catalyst, as well as the movement of products out of the porous structure. This project will study the fundamental science underlying the interactions between water, catalyst pore structure, carbohydrates, and products using high resolution measurement techniques which probe the molecular interactions of these materials. The outcomes of the research may suggest ways to adjust the catalysis process to achieve higher yield and selectivity of products in shorter times. Through this research, students will be given opportunities for advanced training at the Environmental Molecular Sciences Laboratory at Pacific Northwest National Laboratory.The overall goal of this research is to understand the interactions between water, biomass-derived carbohydrates, and furan-based products within porous catalysts. The use of lignocellulosic biomass on the scale required for significant production of carbon-based fuels and chemicals will likely involve continuous liquid-phase processing with heterogeneous catalysts in many of the chemical conversion steps. Various components of the reaction medium, including solvent, reactants, intermediates and products, will partition within the porous catalyst material. Differential absorption of molecules into the pores and their specific adsorption onto the pore walls are hypothesized to have profound consequences for selectivity, based on observations of dramatic effects in mixed solvent systems where an organic solvent is combined with water. To elucidate the nature of the interface confinement at the molecular level and to quantify the extent of these interactions, the research will use ex-situ and in-situ solid-state nuclear magnetic resonance (NMR) monitoring of solid-liquid interfaces, via the use of specially designed high temperature-high pressure magic-angle-spinning probes, to assess local structures of carbohydrate-derived molecules and their rates of transformations in porous materials such as zeolites, mesoporous silicas and organosilicas, and carbons. This information will be combined with calorimetric measurements that probe the thermodynamics of absorption/adsorption phenomena, and gravimetric measurements to probe their kinetics. As part of this research, students will be trained on advanced NMR techniques through the Environmental Molecular Sciences Laboratory at Pacific Northwest National Laboratory. Knowledge gained on the behavior of interface-confined species will identify pore structures that select for reactants, promote desired reactions and expel specific desired products, such as furanics.

PI名称：Susannah L. Scottpropopals编号：1512228可以通过使用可再生资源（例如非食品生物量）来实现重要化学品和燃料的可持续生产。 生物质衍生的碳水化合物的选择性转化是使用多孔固体催化剂在液态水中的特定化学物质转化，部分通过生物量衍生的碳水化合物分子的分子运动到催化剂的多孔结构，以及源自多孔结构的产物运动。该项目将使用探测这些材料的分子相互作用的高分辨率测量技术研究水，催化剂孔结构，碳水化合物和产品之间相互作用的基本科学。 研究的结果可能提出了调整催化过程的方法，以在较短的时间内实现产品的更高产量和选择性。 通过这项研究，将为学生提供在太平洋西北国家实验室的环境分子科学实验室进行高级培训的机会。这项研究的总体目标是了解水，生物质衍生的碳水化合物和基于Furan的产品之间的相互作用。 在许多化学转化步骤中，使用木质纤维素生物量在大量生产碳燃料和化学物质所需的尺度上可能涉及与异质催化剂的连续液相加工。 反应培养基的各种成分，包括溶剂，反应物，中间体和产物，将在多孔催化剂材料中分配。基于在混合溶剂系统中观察到的有机溶剂与水结合的混合溶剂系统中，分子吸收分子到孔中的差异吸收及其在孔隙壁上的特异性吸附对选择性产生了深远的影响。为了阐明分子水平上界面限制的性质并量化这些相互作用的程度，该研究将使用固态和原地固态核磁共振（NMR）监测固体液体界面的监测，通过使用特殊设计的高温型魔术型材料及其在其上的高温型号及其在其上的转化速度，以评估其型号的型号及其型号的碳水化合物速率，并评估其型号的型号的速度，并将其评估。如沸石，介孔硅和有机硅和碳。这些信息将与量热测量相结合，以探测吸收/吸附现象的热力学和重量测量，以探测其动力学。 作为这项研究的一部分，将通过太平洋西北国家实验室的环境分子科学实验室对高级NMR技术进行培训。关于界面限制物种的行为所获得的知识将确定选择反应物，促进所需反应并驱逐特定所需产品的孔结构，例如Furanics。