Collaborative Research: Deformation of poroelastic nanoporous materials of hierarchical structure upon adsorption of gas mixtures: theory, molecular modeling and experiments
合作研究:分级结构多孔弹性纳米多孔材料吸附气体混合物时的变形:理论、分子建模和实验
基本信息
- 批准号:1834345
- 负责人:
- 金额:$ 22.32万
- 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 2022-08-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
The increased use of hydraulic fracturing to recover oil and gas from shale deposits has become one of the most rapidly growing components of the US economy. Located deep underground, shales are complex geological media comprised of both organic (e.g. kerogen) and inorganic fractions (e.g. clays, silicates). Up to 85% of the shale fuel is encapsulated in nanometer sized pores in the form of adsorbed hydrocarbon mixtures. Adsorbed hydrocarbons exert a stress on the shale, and in the process of recovery, this stress is released, which may decompress the shale and induce its deformation. This compression/decompression has been observed to be over 20% in the kerogen fraction of the shale. Deformation of the pores influences both their adsorption capacity and subsequent permeation of the fuel through the shale reservoir as it is recovered. Capacity and recovery rate influence the energy efficiency of the recovery process, as well as the amount of fuel recovered. These effects can be exacerbated at the high temperatures and pressures typical of deep geological formations. An increased understanding of the interplay between fluid confinement in nanoporous media, the stresses this induces, and how these factors influence permeation and capacity will help optimize hydrocarbon recovery from shales. This project will combine statistical mechanics theory of poroelastic solids with novel high-pressure geophysical experimental measurements to develop a validated theory on adsorption-induced deformation of nanoporous media. The objective of the project is to couple the Gibbs theory of excess adsorption with the macroscopic Biot theory of poroelasticity. The Biot theory describes how a porous body saturated with a fluid deforms under the action of fluid pressure and external stresses, whereas the Gibbs theory of excess adsorption describes how fluids concentrate near a surface, particularly in nanoporous adsorbents. Molecular lever models and Monte Carlo simulation will be used to explore phase behavior and separation of typical mixtures of light hydrocarbons and carbon dioxide in nanopores of compliant adsorbents and predict the adsorption capacity and selectivity, as well as the adsorbent stress and strain at given external conditions of pressure, temperature, and adsorbate mixture composition. The combined theory will be validated with experimental demonstration of adsorption stress of model materials interacting with high pressure gas mixtures. The project will establish new techniques for measuring the adsorbent stresses and strains in the process of adsorption of hydrocarbon mixtures. If successful, the project will converge theories from adsorption science with geophysics, and have further implications for the design of flexible adsorbents and separation membranes, actuators, nanobumpers, and energy storage devices. Two PhD and three undergraduate students will be trained within this project. Educational and community outreach program facilitates student recruitment from underrepresented minority groups, summer opportunities for high school students and teachers, participation is special events such as Girl to Engineering Day and STEM Festival. Novel simulation methods and case-study topics will be incorporated into PIs graduate courses on Nanoscale Thermodynamics and Transport and Advanced Geomechanics.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.
越来越多地使用水力压裂法从页岩矿床中开采石油和天然气,已成为美国经济增长最快的组成部分之一。页岩位于地下深处,是由有机(如干酪根)和无机(如粘土、硅酸盐)组成的复杂地质介质。高达85%的页岩燃料以吸附的碳氢化合物混合物的形式被包裹在纳米大小的孔隙中。吸附的碳氢化合物对页岩施加应力,在回收过程中,这种应力被释放,这可能会使页岩减压,导致页岩变形。据观察,页岩中干酪根部分的这种压缩/解压超过20%。孔隙的变形既影响了它们的吸附能力,也影响了燃料在回收时随后通过页岩储层的渗透。能力和回收率影响回收过程的能源效率,以及回收的燃料量。在深部地质构造典型的高温和压力下,这些影响可能会加剧。加深对纳米孔介质中流体限制之间的相互作用、由此引起的压力以及这些因素如何影响渗透率和容量的了解,将有助于优化页岩中的碳氢化合物回收。该项目将把多孔弹性固体的统计力学理论与新的高压地球物理实验测量相结合,以开发一种关于纳米孔介质吸附诱导变形的有效理论。该项目的目标是将超额吸附的吉布斯理论与孔道弹性的宏观毕奥理论相结合。Biot理论描述了流体饱和的多孔体在流体压力和外部应力的作用下如何变形,而Gibbs过剩吸附理论描述了流体如何在表面附近聚集,特别是在纳米孔吸附剂中。采用分子杠杆模型和蒙特卡罗模拟研究了典型轻烃和二氧化碳混合物在顺应性吸附剂纳米孔中的相行为和分离,并预测了在给定的压力、温度和吸附混合物组成等外部条件下的吸附容量和选择性以及吸附剂的应力和应变。结合理论将通过模型材料与高压气体相互作用的吸附应力的实验演示来验证。该项目将建立测量碳氢化合物混合物吸附过程中的吸附剂应力和应变的新技术。如果成功,该项目将把吸附科学的理论与地球物理学结合起来,并对柔性吸附剂和分离膜、致动器、纳米缓冲器和储能装置的设计产生进一步的影响。该项目将培养两名博士生和三名本科生。教育和社区外展计划促进从代表不足的少数群体中招收学生,为高中生和教师提供暑期机会,参与特别活动,如女孩到工程节和STEM节。新的模拟方法和案例研究主题将被纳入PIS关于纳米尺度热力学和运输以及高级地质力学的研究生课程中。该奖项反映了NSF的法定使命,并通过使用基金会的智力优势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(2)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
Experimental Measurements and Molecular Simulation of Carbon Dioxide Adsorption on Carbon Surface
- DOI:10.2118/210264-ms
- 发表时间:2022-09
- 期刊:
- 影响因子:0
- 作者:I. Gomaa;Javier Guerrero;Z. Heidari;D. Espinoza
- 通讯作者:I. Gomaa;Javier Guerrero;Z. Heidari;D. Espinoza
Poroelastic and Adsorptive Properties of Activated Carbon
活性炭的孔隙弹性和吸附性能
- DOI:10.56952/arma-2022-0464
- 发表时间:2022
- 期刊:
- 影响因子:0
- 作者:Guerrero, J. O.;Espinoza, D. N.
- 通讯作者:Espinoza, D. N.
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David Espinoza其他文献
What does the EPOCH (early prevention of obesity in childhood) prospective meta-analysis tell us about early life obesity prevention?
- DOI:
10.1016/j.orcp.2014.10.006 - 发表时间:
2014-12-01 - 期刊:
- 影响因子:2.9
- 作者:
Lisa Askie;Andrew Martin;David Espinoza;Karen Campbell;Lynne A. Daniels;Kylie Hesketh;Anthea Margarey;Chris Rissel;Barry Taylor;Rachael Taylor;Li Meing Wen;Louise A. Baur - 通讯作者:
Louise A. Baur
Generation of Functionally Competent Eosinophils and Eosinophil Precursors Using an Induced Pluripotent Stem Cell Model
使用诱导多能干细胞模型生成具有功能的嗜酸性粒细胞和嗜酸性粒细胞前体
- DOI:
10.1016/j.jaci.2022.12.399 - 发表时间:
2023-02-01 - 期刊:
- 影响因子:11.200
- 作者:
Gregory Constantine;David Espinoza;Elizabeth Swain;Xiaoping Sun;Irina Maric;Gila Idelman;Patricia Fulkerson;Michelle Makiya;Calman Prussin;Amy Klion - 通讯作者:
Amy Klion
Nanoscale Optical Dielectric Rod Antenna for On-Chip Interconnecting Networks
用于片上互连网络的纳米级光学介电棒天线
- DOI:
- 发表时间:
2011 - 期刊:
- 影响因子:4.3
- 作者:
Hongyu Zhou;Xi Chen;David Espinoza;A. Mickelson;D. Filipović - 通讯作者:
D. Filipović
Selection and Generation Hyper-heuristics for Solving the Vehicle Routing Problem with Time Windows
解决带时间窗的车辆路径问题的选择和生成超启发式
- DOI:
10.1145/2908961.2909051 - 发表时间:
2016 - 期刊:
- 影响因子:0
- 作者:
David Espinoza;J. C. Ortíz;Hugo Terashima;G. Gatica - 通讯作者:
G. Gatica
Does personalized melanoma genomic risk information trigger conversations about skin cancer prevention and skin examination with family, friends and health professionals?
个性化黑色素瘤基因组风险信息是否会引发与家人、朋友和健康专业人员有关皮肤癌预防和皮肤检查的对话?
- DOI:
10.1111/bjd.15744 - 发表时间:
2017 - 期刊:
- 影响因子:10.3
- 作者:
A. Smit;A. Smit;Louise Keogh;A. Newson;Phyllis N. Butow;K. Dunlop;Rachael L. Morton;Judy Kirk;David Espinoza;A. Cust - 通讯作者:
A. Cust
David Espinoza的其他文献
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