Data Mining for Binary Separation Materials in Published Adsorption Isotherms
Source abstract
Abstract
The scientific literature is replete with data describing novel porous structures, making the selection of an adsorbent for storage and separation applications a difficult task, and often leading to overlooked materials. In this study, we use a high-throughput methodology to process a dataset of 32 000 adsorption isotherms from the NIST adsorption database (ISODB) and generate key performance indicators applicable to binary separation on 4400 hosts and 49 guests, with the aim of simplifying the aforementioned choice. The procedure is validated against an internal dataset to gauge the suitability of the derived indicators. The results are then collated in a powerful online dashboard, which can be used to explore material–adsorbate pairs. Finally, we use this toolchain to scrutinize several challenging and industrially relevant case studies and highlight materials that may be promising for further analysis.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Adsorption and biosorption for pollutant removal · Advanced Chemical Sensor Technologies · Metal-Organic Frameworks: Synthesis and Applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Aix-Marseille University, CNRS, MADIREL UMR 7246, 13397 Marseille, France
Institut Charles Gerhardt Montpellier, ICGM - UMR 5253, Université Montpellier, CNRS ENSCM UM, Cedex 05, 34095 Montpellier, France
Funding
H2020 Marie Sklodowska-Curie Actions
References (59)
Show source-provided references
1. 10.1038/532435a10.1038/532435a ↗
2. Baerlocher C. · 2007
3. Foster, M.; Treacy, M. A Database of Hypothetical Zeolite Structures. http://www.hypotheticalzeolites.net. (accessed May 12, 2019).
4. 10.1021/acs.chemmater.7b0044110.1021/acs.chemmater.7b00441 ↗
5. 10.1021/cm502594j10.1021/cm502594j ↗
6. 10.1038/nchem.119210.1038/nchem.1192 ↗
7. 10.1039/c2ce26473k10.1039/c2ce26473k ↗
8. 10.1021/jp801681w10.1021/jp801681w ↗
9. 10.1039/C6ME00043F10.1039/C6ME00043F ↗
10. 10.1126/sciadv.160090910.1126/sciadv.1600909 ↗
11. 10.1021/acs.jpclett.7b0270010.1021/acs.jpclett.7b02700 ↗
12. 10.1039/C7TA02916K10.1039/C7TA02916K ↗
13. 10.1021/acs.chemmater.5b0147510.1021/acs.chemmater.5b01475 ↗
14. 10.1038/ncomms1183110.1038/ncomms11831 ↗
15. 10.1039/c3cp55039g10.1039/c3cp55039g ↗
16. 10.1021/acscombsci.7b0005610.1021/acscombsci.7b00056 ↗
17. 10.1021/acs.jctc.8b0025310.1021/acs.jctc.8b00253 ↗
18. 10.1039/C6EE02104B10.1039/C6EE02104B ↗
19. 10.1021/acs.chemmater.6b0493310.1021/acs.chemmater.6b04933 ↗
20. 10.1039/C8ME00050F10.1039/C8ME00050F ↗
21. 10.1038/s41467-018-03892-810.1038/s41467-018-03892-8 ↗
22. 10.1016/j.matt.2019.03.00210.1016/j.matt.2019.03.002 ↗
23. 10.1021/acs.chemmater.7b0253210.1021/acs.chemmater.7b02532 ↗
24. 10.1038/s41586-019-1335-810.1038/s41586-019-1335-8 ↗
25. 10.1021/acs.jcim.7b0060810.1021/acs.jcim.7b00608 ↗
26. Siderius, D.; Shen, V.; Johnson, R.; van Zee, R. D. NIST/ARPA-E Database of Novel and Emerging Adsorbent Materials https://dx.doi.org/10.18434/T43882 (accessed March 14, 2015).
27. 10.1021/acs.chemmater.7b0428710.1021/acs.chemmater.7b04287 ↗
28. 10.1007/s10450-018-9958-x10.1007/s10450-018-9958-x ↗
29. 10.1007/s10450-019-00168-510.1007/s10450-019-00168-5 ↗
30. Lemmon, E. W.; Bell, I.; Huber, M. L.; McLinden, M. O. NIST Standard Reference Database 23: Reference Fluid Thermodynamicand Transport Properties-Refprop , Version 10.0; National Institute of Standards and Technology 2018.
31. 10.1021/la304432910.1021/la3044329 ↗
32. Knaebel K. S. · Chem. Eng. · 1995 · 102 · 92
33. 10.1002/aic.69048011510.1002/aic.690480115 ↗
34. 10.1081/SS-10010790710.1081/SS-100107907 ↗
35. 10.1039/C5CP00581G10.1039/C5CP00581G ↗
36. 10.1021/ja902740r10.1021/ja902740r ↗
37. 10.1021/ja907556q10.1021/ja907556q ↗
38. 10.1021/la203925y10.1021/la203925y ↗
39. 10.1021/ja900555r10.1021/ja900555r ↗
40. 10.1021/ie504604410.1021/ie5046044 ↗
41. 10.1021/jp401600v10.1021/jp401600v ↗
42. 10.1021/jacs.7b0639710.1021/jacs.7b06397 ↗
43. 10.1021/ja200553m10.1021/ja200553m ↗
44. 10.1016/j.micromeso.2014.03.02210.1016/j.micromeso.2014.03.022 ↗
45. 10.1073/pnas.060243910310.1073/pnas.0602439103 ↗
46. 10.1021/ja108976510.1021/ja1089765 ↗
47. 10.1002/chem.20110095810.1002/chem.201100958 ↗
48. 10.1039/C0NJ00836B10.1039/C0NJ00836B ↗
49. 10.1021/cm500407f10.1021/cm500407f ↗
50. 10.1016/j.memsci.2011.11.02410.1016/j.memsci.2011.11.024 ↗
51. 10.1002/adma.20180751310.1002/adma.201807513 ↗
52. 10.1021/acs.chemmater.9b0232210.1021/acs.chemmater.9b02322 ↗
53. 10.1021/jp307894e10.1021/jp307894e ↗
54. 10.1016/j.ces.2010.10.00210.1016/j.ces.2010.10.002 ↗
55. 10.1039/c0cc00027b10.1039/c0cc00027b ↗
56. 10.1021/acs.jpcc.6b0919710.1021/acs.jpcc.6b09197 ↗
57. 10.1021/acs.jpcc.8b1137710.1021/acs.jpcc.8b11377 ↗
58. 10.1039/C7TA09696H10.1039/C7TA09696H ↗
59. 10.1063/1.481232310.1063/1.4812323 ↗