• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

计算机筛选碳捕获材料。

In silico screening of carbon-capture materials.

机构信息

Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720-1462, USA.

出版信息

Nat Mater. 2012 May 27;11(7):633-41. doi: 10.1038/nmat3336.

DOI:10.1038/nmat3336
PMID:22635045
Abstract

One of the main bottlenecks to deploying large-scale carbon dioxide capture and storage (CCS) in power plants is the energy required to separate the CO(2) from flue gas. For example, near-term CCS technology applied to coal-fired power plants is projected to reduce the net output of the plant by some 30% and to increase the cost of electricity by 60-80%. Developing capture materials and processes that reduce the parasitic energy imposed by CCS is therefore an important area of research. We have developed a computational approach to rank adsorbents for their performance in CCS. Using this analysis, we have screened hundreds of thousands of zeolite and zeolitic imidazolate framework structures and identified many different structures that have the potential to reduce the parasitic energy of CCS by 30-40% compared with near-term technologies.

摘要

在电厂中大规模部署二氧化碳捕集与封存(CCS)的主要瓶颈之一是从烟道气中分离 CO(2)所需的能量。例如,应用于燃煤电厂的近期 CCS 技术预计将使工厂的净输出减少约 30%,并使电力成本增加 60-80%。因此,开发可减少 CCS 带来的寄生能量的捕集材料和工艺是一个重要的研究领域。我们已经开发了一种计算方法来对吸附剂在 CCS 中的性能进行排序。使用这种分析方法,我们筛选了数十万种沸石和沸石咪唑酯骨架结构,并确定了许多不同的结构,它们有可能将 CCS 的寄生能量比近期技术降低 30-40%。

相似文献

1
In silico screening of carbon-capture materials.计算机筛选碳捕获材料。
Nat Mater. 2012 May 27;11(7):633-41. doi: 10.1038/nmat3336.
2
Cyclic stability testing of aminated-silica solid sorbent for post-combustion CO2 capture.用于燃烧后 CO2 捕集的氨基化二氧化硅固体吸附剂的循环稳定性测试。
ChemSusChem. 2015 Feb;8(3):452-5. doi: 10.1002/cssc.201402423. Epub 2014 Dec 15.
3
Thermal structural transitions and carbon dioxide adsorption properties of zeolitic imidazolate framework-7 (ZIF-7).沸石咪唑酯骨架-7(ZIF-7)的热结构转变和二氧化碳吸附性能。
J Am Chem Soc. 2014 Jun 4;136(22):7961-71. doi: 10.1021/ja5016298. Epub 2014 May 23.
4
CO(2) capture from dilute gases as a component of modern global carbon management.从稀释气体中捕获 CO2,作为现代全球碳管理的一个组成部分。
Annu Rev Chem Biomol Eng. 2011;2:31-52. doi: 10.1146/annurev-chembioeng-061010-114252.
5
A Diaminopropane-Appended Metal-Organic Framework Enabling Efficient CO Capture from Coal Flue Gas via a Mixed Adsorption Mechanism.一种含二氨基丙烷的金属有机骨架,通过混合吸附机制实现从燃煤烟气中高效捕集 CO。
J Am Chem Soc. 2017 Sep 27;139(38):13541-13553. doi: 10.1021/jacs.7b07612. Epub 2017 Sep 14.
6
Tuning of ZIF-Derived Carbon with High Activity, Nitrogen Functionality, and Yield - A Case for Superior CO2 Capture.具有高活性、氮官能团和产率的ZIF衍生碳的调谐——卓越二氧化碳捕获的实例
ChemSusChem. 2015 Jun 22;8(12):2123-32. doi: 10.1002/cssc.201403402. Epub 2015 Apr 27.
7
Challenges of electric swing adsorption for CO(2) capture.电动摆动吸附 CO(2)捕集面临的挑战。
ChemSusChem. 2010 Aug 23;3(8):892-8. doi: 10.1002/cssc.201000059.
8
Thermodynamic analysis of low-temperature carbon dioxide and sulfur dioxide capture from coal-burning power plants.燃煤电厂低温捕集二氧化碳和二氧化硫的热力学分析
Phys Rev E Stat Nonlin Soft Matter Phys. 2012 Jul;86(1 Pt 2):016103. doi: 10.1103/PhysRevE.86.016103. Epub 2012 Jul 6.
9
Molecular simulation study of the competitive adsorption of H2O and CO2 in zeolite 13X.水和二氧化碳在沸石 13X 中竞争吸附的分子模拟研究。
Langmuir. 2013 Dec 23;29(51):15936-42. doi: 10.1021/la403824g. Epub 2013 Dec 12.
10
Water Enables Efficient CO Capture from Natural Gas Flue Emissions in an Oxidation-Resistant Diamine-Appended Metal-Organic Framework.水在氧化稳定的二胺功能化金属有机骨架中促进从天然气烟道气中高效捕集 CO。
J Am Chem Soc. 2019 Aug 21;141(33):13171-13186. doi: 10.1021/jacs.9b05567. Epub 2019 Aug 8.

引用本文的文献

1
Bottom-up computational design of shape-selective organic macrocycles for humid CO capture.用于潮湿二氧化碳捕获的形状选择性有机大环的自下而上计算设计
Nat Chem. 2025 Jul 22. doi: 10.1038/s41557-025-01873-1.
2
Data-Driven Search Algorithm for Discovery of Synthesizable Zeolitic Imidazolate Frameworks.用于发现可合成的沸石咪唑酯骨架的数据驱动搜索算法
JACS Au. 2025 Mar 7;5(3):1460-1470. doi: 10.1021/jacsau.5c00077. eCollection 2025 Mar 24.
3
Artificial Intelligence-Powered Materials Science.人工智能驱动的材料科学

本文引用的文献

1
Addressing challenges of identifying geometrically diverse sets of crystalline porous materials.解决识别具有不同几何形状的结晶多孔材料的挑战。
J Chem Inf Model. 2012 Feb 27;52(2):308-18. doi: 10.1021/ci200386x. Epub 2011 Dec 1.
2
Analysis and status of post-combustion carbon dioxide capture technologies.燃烧后二氧化碳捕集技术的分析与现状。
Environ Sci Technol. 2011 Oct 15;45(20):8624-32. doi: 10.1021/es104291d. Epub 2011 Sep 29.
3
In silico screening of metal-organic frameworks in separation applications.金属有机骨架在分离应用中的计算机筛选。
Nanomicro Lett. 2025 Feb 6;17(1):135. doi: 10.1007/s40820-024-01634-8.
4
Process-based screening of porous materials for vacuum swing adsorption based on 1D classical density functional theory and PC-SAFT.基于一维经典密度泛函理论和PC-SAFT的用于变压吸附的多孔材料的基于过程的筛选
Mol Syst Des Eng. 2025 Jan 1;10(3):219-227. doi: 10.1039/d4me00127c. eCollection 2025 Mar 3.
5
The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture.2023年开放式直接空气捕获吸附剂发现数据集及挑战
ACS Cent Sci. 2024 May 1;10(5):923-941. doi: 10.1021/acscentsci.3c01629. eCollection 2024 May 22.
6
Supervised Machine Learning-Based Prediction of Hydrogen Storage Classes Utilizing Dibenzyltoluene as an Organic Carrier.基于监督式机器学习利用二苄基甲苯作为有机载体对储氢类别进行预测
Molecules. 2024 Mar 13;29(6):1280. doi: 10.3390/molecules29061280.
7
Engineering Enzymes for Environmental Sustainability.为实现环境可持续性而设计的酶
Angew Chem Weinheim Bergstr Ger. 2023 Dec 21;135(52):e202309305. doi: 10.1002/ange.202309305. Epub 2023 Oct 5.
8
Screening Cu-Zeolites for Methane Activation Using Curriculum-Based Training.使用基于课程的训练筛选用于甲烷活化的铜沸石
ACS Catal. 2024 Jan 10;14(3):1232-1242. doi: 10.1021/acscatal.3c05275. eCollection 2024 Feb 2.
9
Accelerated Discovery of Metal-Organic Frameworks for CO Capture by Artificial Intelligence.通过人工智能加速发现用于捕获二氧化碳的金属有机框架材料。
Ind Eng Chem Res. 2023 Dec 25;63(1):37-48. doi: 10.1021/acs.iecr.3c03817. eCollection 2024 Jan 10.
10
Engineering Enzymes for Environmental Sustainability.工程酶助力环境可持续发展。
Angew Chem Int Ed Engl. 2023 Dec 21;62(52):e202309305. doi: 10.1002/anie.202309305. Epub 2023 Oct 5.
Phys Chem Chem Phys. 2011 Jun 14;13(22):10593-616. doi: 10.1039/c1cp20282k. Epub 2011 May 3.
4
A database of new zeolite-like materials.新型沸石类材料数据库。
Phys Chem Chem Phys. 2011 Jul 21;13(27):12407-12. doi: 10.1039/c0cp02255a. Epub 2011 Mar 18.
5
Modular organic structure-directing agents for the synthesis of zeolites.用于沸石合成的模块化有机结构导向剂。
Science. 2010 Nov 26;330(6008):1219-22. doi: 10.1126/science.1196240.
6
Carbon dioxide capture: prospects for new materials.二氧化碳捕获:新材料的前景。
Angew Chem Int Ed Engl. 2010 Aug 16;49(35):6058-82. doi: 10.1002/anie.201000431.
7
Navigating molecular worms inside chemical labyrinths.在化学迷宫中导航分子蠕虫。
Proc Natl Acad Sci U S A. 2009 Dec 22;106(51):21472-7. doi: 10.1073/pnas.0910016106. Epub 2009 Dec 14.
8
Screening of metal-organic frameworks for carbon dioxide capture from flue gas using a combined experimental and modeling approach.采用组合实验与模拟方法对从烟道气中捕获二氧化碳的金属有机骨架进行筛选。
J Am Chem Soc. 2009 Dec 30;131(51):18198-9. doi: 10.1021/ja9057234.
9
Amine scrubbing for CO2 capture.用于二氧化碳捕集的胺洗涤法。
Science. 2009 Sep 25;325(5948):1652-4. doi: 10.1126/science.1176731.
10
Carbon capture and sequestration.碳捕获与封存
Science. 2009 Sep 25;325(5948):1599. doi: 10.1126/science.1181637.