177 related articles for article (PubMed ID: 30152487)
1. First principles Monte Carlo simulations of unary and binary adsorption: CO
Fetisov EO; Shah MS; Long JR; Tsapatsis M; Siepmann JI
Chem Commun (Camb); 2018 Sep; 54(77):10816-10819. PubMed ID: 30152487
[TBL] [Abstract][Full Text] [Related]
2. Ab Initio Prediction of Adsorption Isotherms for Gas Mixtures by Grand Canonical Monte Carlo Simulations on a Lattice of Sites.
Kundu A; Sillar K; Sauer J
J Phys Chem Lett; 2017 Jun; 8(12):2713-2718. PubMed ID: 28586209
[TBL] [Abstract][Full Text] [Related]
3. Adsorption and separation of binary and ternary mixtures of SO2, CO2 and N2 by ordered carbon nanotube arrays: grand-canonical Monte Carlo simulations.
Rahimi M; Singh JK; Müller-Plathe F
Phys Chem Chem Phys; 2016 Feb; 18(5):4112-20. PubMed ID: 26780490
[TBL] [Abstract][Full Text] [Related]
4. Predicting adsorption selectivities from pure gas isotherms for gas mixtures in metal-organic frameworks.
Kundu A; Sillar K; Sauer J
Chem Sci; 2019 Dec; 11(3):643-655. PubMed ID: 34123036
[TBL] [Abstract][Full Text] [Related]
5. A Rational Design of Microporous Nitrogen-Rich Lanthanide Metal-Organic Frameworks for CO
Mohan M; Essalhi M; Durette D; Rana LK; Ayevide FK; Maris T; Duong A
ACS Appl Mater Interfaces; 2020 Nov; 12(45):50619-50627. PubMed ID: 33103881
[TBL] [Abstract][Full Text] [Related]
6. Modeling adsorption in metal-organic frameworks with open metal sites: propane/propylene separations.
Fischer M; Gomes JR; Fröba M; Jorge M
Langmuir; 2012 Jun; 28(22):8537-49. PubMed ID: 22574969
[TBL] [Abstract][Full Text] [Related]
7. Monte Carlo Simulations Probing the Adsorptive Separation of Hydrogen Sulfide/Methane Mixtures Using All-Silica Zeolites.
Shah MS; Tsapatsis M; Siepmann JI
Langmuir; 2015 Nov; 31(44):12268-78. PubMed ID: 26473306
[TBL] [Abstract][Full Text] [Related]
8. Molecular simulations for adsorption and separation of natural gas in IRMOF-1 and Cu-BTC metal-organic frameworks.
Martín-Calvo A; García-Pérez E; Manuel Castillo J; Calero S
Phys Chem Chem Phys; 2008 Dec; 10(47):7085-91. PubMed ID: 19039342
[TBL] [Abstract][Full Text] [Related]
9. Unlocking the Effect of H
Erucar I; Keskin S
Ind Eng Chem Res; 2020 Feb; 59(7):3141-3152. PubMed ID: 32201455
[TBL] [Abstract][Full Text] [Related]
10. Accurate ab initio description of adsorption on coordinatively unsaturated Cu(2+) and Fe(3+) sites in MOFs.
Grajciar L; Nachtigall P; Bludský O; Rubeš M
J Chem Theory Comput; 2015 Jan; 11(1):230-8. PubMed ID: 26574221
[TBL] [Abstract][Full Text] [Related]
11. In silico design of a new Zn-triazole based metal-organic framework for CO
Dahmani R; Grubišić S; Djordjević I; Ben Yaghlane S; Boughdiri S; Chambaud G; Hochlaf M
J Chem Phys; 2021 Jan; 154(2):024303. PubMed ID: 33445914
[TBL] [Abstract][Full Text] [Related]
12. Computational Screening of Metal-Organic Frameworks for Membrane-Based CO
Daglar H; Keskin S
J Phys Chem C Nanomater Interfaces; 2018 Aug; 122(30):17347-17357. PubMed ID: 30093931
[TBL] [Abstract][Full Text] [Related]
13. Adsorption study of CO2, CH4, N2, and H2O on an interwoven copper carboxylate metal-organic framework (MOF-14).
Karra JR; Grabicka BE; Huang YG; Walton KS
J Colloid Interface Sci; 2013 Feb; 392():331-336. PubMed ID: 23158044
[TBL] [Abstract][Full Text] [Related]
14. Flattening of a Bent Sulfonated MOF Linker: Impact on Structures, Flexibility, Gas Adsorption, CO
Szufla M; Krawczuk A; Jajko G; Kozyra P; Matoga D
Inorg Chem; 2024 Jan; 63(1):151-162. PubMed ID: 38117683
[TBL] [Abstract][Full Text] [Related]
15. Separation of CO2 from CH4 using mixed-ligand metal-organic frameworks.
Bae YS; Mulfort KL; Frost H; Ryan P; Punnathanam S; Broadbelt LJ; Hupp JT; Snurr RQ
Langmuir; 2008 Aug; 24(16):8592-8. PubMed ID: 18616225
[TBL] [Abstract][Full Text] [Related]
16. High-Throughput Screening of Metal-Organic Frameworks for CO
Li S; Chung YG; Snurr RQ
Langmuir; 2016 Oct; 32(40):10368-10376. PubMed ID: 27627635
[TBL] [Abstract][Full Text] [Related]
17. CO
Gautam S; Cole D
Nanomaterials (Basel); 2020 Nov; 10(11):. PubMed ID: 33213010
[TBL] [Abstract][Full Text] [Related]
18. Computational evaluation of aluminophosphate zeotypes for CO
Fischer M
Phys Chem Chem Phys; 2017 Aug; 19(34):22801-22812. PubMed ID: 28812079
[TBL] [Abstract][Full Text] [Related]
19. Insights into the Gas Adsorption Mechanisms in Metal-Organic Frameworks from Classical Molecular Simulations.
Pham T; Space B
Top Curr Chem (Cham); 2020 Jan; 378(1):14. PubMed ID: 31933069
[TBL] [Abstract][Full Text] [Related]
20. How Reliable Is the Ideal Adsorbed Solution Theory for the Estimation of Mixture Separation Selectivities in Microporous Crystalline Adsorbents?
Krishna R; van Baten JM
ACS Omega; 2021 Jun; 6(23):15499-15513. PubMed ID: 34151128
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
