权益分类	功能权益	普通用户	{{item.name}}会员
{{category.name}}	{{benefitItem.name}}

Multiscale Investigations of Species Capture from Dilute Solution

从稀溶液中捕获物种的多尺度研究

基本信息

批准号：
1703251
负责人：
Daniel Shantz
金额：
$ 31.67万
依托单位：
Tulane University
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2017
资助国家：
美国
起止时间：
2017-08-01 至 2022-07-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1703251&HistoricalAwards=false
关键词：
Multiscale Investigations Species Capture Dilute

项目摘要

In the conversion of biomass to renewable biofuels, an important intermediate step is the recovery of dilute organic molecules that will serve as the fuel from an oil-water mixture. This separation must be done with utmost energy efficiency, to maximize the net energy recovered from the process. Similarly, very little of the organics must be left in the water, to maximize the amount of biofuels produced. Purification of the water would enable the energy sector to reuse the water. This proposal will use low-energy adsorption on functional surfaces to efficiently remove organics from oil-water mixtures by developing fundamental insights into how the chemical composition of functional surfaces impacts recovery. This project will couple molecular simulations and experimental studies to probe the molecular mechanisms for adsorption of acetic acid and guaiacol from water, two organics which serve as models for the complex mixture in conversion of biomass to biofuels. These model compounds were chosen to specifically probe short versus long range molecular interactions. In addition to standard adsorption and chromatographic methods, NMR spectroscopy will monitor the dynamics of binding and diffusion. Molecular simulations will be validated by the experimental measurements, and then used to examine the roles of electrostatic and hydrophobic interactions on selective adsorption. The outcome will be to develop predictive design rules to create novel hybrid functionalized materials. Outreach efforts will support and expand the pipeline of K-12 and undergraduate students to pursue careers in the STEM workforce. Strategies to recover dilute biologically derived organics from water will impact the energy, agriculture, and environmental sectors, with students trained to lead scientific solutions to energy-water challenges.

在将生物质转化为可再生生物燃料的过程中，一个重要的中间步骤是从油水混合物中回收作为燃料的稀有机分子。这种分离必须以最大的能源效率进行，以最大限度地从该过程中回收净能量。同样，为了最大限度地生产生物燃料，必须将很少的有机物留在水中。水的净化将使能源部门能够重新利用水。该方案将利用功能表面上的低能量吸附，通过对功能表面的化学成分如何影响采收率的基本见解，有效地从油水混合物中去除有机物。该项目将结合分子模拟和实验研究，探索从水中吸附乙酸和愈创木酚的分子机制，这两种有机物可作为生物质转化为生物燃料的复杂混合物的模型。选择这些模型化合物专门用于探测短距离与长距离的分子相互作用。除了标准的吸附和色谱方法，核磁共振光谱将监测结合和扩散的动态。分子模拟将通过实验测量验证，然后用于检查静电和疏水相互作用在选择性吸附中的作用。其结果将是开发预测性设计规则，以创建新的混合功能化材料。外展工作将支持和扩大K-12和本科学生在STEM劳动力中追求职业的管道。从水中回收稀生物衍生有机物的战略将影响能源、农业和环境部门，培训学生领导解决能源-水挑战的科学解决方案。