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1. A Computational Study of Dicationic Ionic Liquids/CO2 Interfaces

Author:
Li, Song; Zhao, Wei; Feng, Guang; Cummings, Peter T.
Source:
Langmuir 2015 v.31 no.8 pp. 2447-2454
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; absorbents; absorption; cations; diffusivity; energy; flue gas; fluorine; ionic liquids; molecular dynamics; nitrogen;     Show all 11 Subjects
Abstract:
... Recent studies on CO₂ capture using dicationic ionic liquids (DILs) demonstrated that DILs are promising absorbents for CO₂ uptake especially compared with monocationic ionic liquids (MILs) analogues, in which each cation carries single positive charge in contrast to two unit charges of a dication. However, DILs/CO₂ interfacial properties at the molecular level are still unknown. This work investi ...
DOI:
10.1021/la5048563

2. Activated Carbon Fibers with a High Heteroatom Content by Chemical Activation of PBO with Phosphoric Acid

Author:
Vázquez-Santos, M. B.; Suárez-García, F.; Martínez-Alonso, A.; Tascón, J. M. D.
Source:
Langmuir 2012 v.28 no.13 pp. 5850-5860
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; activated carbon; carbon fibers; carbonization; chemical analysis; moieties; nitrogen content; phosphoric acid; phosphorus; porosity; surface area; temperature; texture;     Show all 13 Subjects
Abstract:
... The preparation of activated carbon fibers (ACFs) by phosphoric acid activation of poly(p-phenylene benzobisoxazole) (PBO) fibers was studied, with particular attention to the effects of impregnation ratio and carbonization temperature on porous texture. Phosphoric acid has a strong effect on PBO degradation, lowering the temperature range at which the decomposition takes place and changing the nu ...
DOI:
10.1021/la300189v

3. Adsorption and Diffusion of Fluids in Defective Carbon Nanotubes: Insights from Molecular Simulations

Author:
Bucior, Benjamin J.; Kolmakov, German V.; Male, JoAnna M.; Liu, Jinchen; Chen, De-Li; Kumar, Prashant; Johnson, J. Karl
Source:
Langmuir 2017 v.33 no.42 pp. 11834-11844
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; carbon; carbon nanotubes; diffusivity; liquids; models; sorption isotherms; topology;     Show all 9 Subjects
Abstract:
... Single-walled carbon nanotubes (SWNTs) have been shown from both simulations and experiments to have remarkably low resistance to gas and liquid transport. This has been attributed to the remarkably smooth interior surface of pristine SWNTs. However, real SWNTs are known to have various defects that depend on the synthesis method and procedure used to activate the SWNTs. In this paper, we study ad ...
DOI:
10.1021/acs.langmuir.7b02841

4. Adsorption and Reaction of Methanol over CeOX(100) Thin Films

Author:
Albrecht, Peter M.; Mullins, David R.
Source:
Langmuir 2013 v.29 no.14 pp. 4559-4567
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; active sites; adsorption; carbon monoxide; cations; ceric oxide; dehydrogenation; formaldehyde; formates; hydrogen; methanol; oxidation; selectivity (chemistry); spectral analysis; temperature;     Show all 15 Subjects
Abstract:
... Methanol was adsorbed on oxidized and reduced CeOX(100) thin films to probe the active sites and reaction selectivity of these surfaces compared to those of CeOX(111). Roughly twice as much methoxy was formed on oxidized CeO₂(100) compared to that formed on CeO₂(111). In addition to more methoxy, hydroxyl is also more stable on CeO₂(100). Unlike on CeO₂(111), however, methanol on CeO₂(100) produce ...
DOI:
10.1021/la400295f

5. Adsorption and Separation of CO2 on KFI Zeolites: Effect of Cation Type and Si/Al Ratio on Equilibrium and Kinetic Properties

Author:
Remy, Tom; Peter, Sunil A.; Van Tendeloo, Leen; Van der Perre, Stijn; Lorgouilloux, Yannick; Kirschhock, Christine E. A.; Baron, Gino V.; Denayer, Joeri F. M.
Source:
Langmuir 2013 v.29 no.16 pp. 4998-5012
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; aluminum; calcium; cations; chemical industry; lithium; magnesium; methane; nitrogen; silicon; sodium; strontium; zeolites;     Show all 14 Subjects
Abstract:
... Selective separation of CO₂ is becoming one of the key technologies in the (petro-) chemical industry. This study focuses on the adsorption and separation of CO₂ from CH₄ on a new low-silica (LS) type of the eight-membered ring KFI zeolite. A series of alkali (Li, Na, K) and alkaline-earth (Mg, Ca, Sr) exchanged samples of the new LS KFI were synthesized and characterized. LS Li-KFI showed the lar ...
DOI:
10.1021/la400352r

6. Adsorption-Induced Deformation of Microporous Materials: Coal Swelling Induced by CO2–CH4 Competitive Adsorption

Author:
Brochard, Laurent; Vandamme, Matthieu; Pellenq, Roland J.-M.; Fen-Chong, Teddy
Source:
Langmuir 2012 v.28 no.5 pp. 2659-2670
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; carbon sequestration; coal; deformation; desorption; methane; methane production; micropores; models; permeability; porous media; temperature;     Show all 13 Subjects
Abstract:
... Carbon dioxide injection in coal seams is known to improve the methane production of the coal seam, while ensuring a safe and long-term carbon sequestration. This improvement is due to the preferential adsorption of CO₂ in coal with respect to CH₄: an injection of CO₂ thus results in a desorption of CH₄. However, this preferential adsorption is also known to cause a differential swelling of coal, ...
DOI:
10.1021/la204072d

7. Adsorption Microcalorimetry of CO2 in Confined Aminopolymers

Author:
Potter, Matthew E.; Pang, Simon H.; Jones, Christopher W.
Source:
Langmuir 2017 v.33 no.1 pp. 117-124
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; air; calorimeters; calorimetry; gravimetry; polymers; porosity; porous media;     Show all 9 Subjects
Abstract:
... Aminopolymers confined within mesoporous supports have shown promise as materials for direct capture of CO₂ from ambient air. In spite of this, relatively little is known about the energetics of CO₂ binding in these materials, and the limited calorimetric studies published to date have focused on materials made using molecular aminosilanes rather than amine polymers. In this work, poly(ethylenimin ...
DOI:
10.1021/acs.langmuir.6b03793

8. Adsorption of Carbon Dioxide, Methane, and Their Mixtures in Porous Carbons: Effect of Surface Chemistry, Water Content, and Pore Disorder

Author:
Billemont, Pierre; Coasne, Benoit; De Weireld, Guy
Source:
Langmuir 2013 v.29 no.10 pp. 3328-3338
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; hydrophilicity; methane; nanopores; sorption isotherms; water content;     Show all 7 Subjects
Abstract:
... The adsorption of carbon dioxide, methane, and their mixtures in nanoporous carbons in the presence of water is studied using experiments and molecular simulations. Both the experimental and numerical samples contain polar groups that account for their partially hydrophilicity. For small amounts of adsorbed water, although the shape of the adsorption isotherms remain similar, both the molecular si ...
DOI:
10.1021/la3048938

9. Adsorption of Carbon on Partially Oxidized Low-Index Cu Surfaces

Author:
Rahmani Didar, Behnaz; Balbuena, Perla B.
Source:
Langmuir 2018 v.34 no.4 pp. 1311-1320
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; carbon monoxide; carbon nanotubes; cleaning; copper; desorption; graphene; oxidation; oxygen; slabs; temperature; vapors;     Show all 13 Subjects
Abstract:
... We use first-principles calculations to study the carbon adsorption on copper slabs of (100) and (111) surfaces predosed by oxygen atoms. Our results show that on both surfaces, an incoming carbon atom has the ability to replace and completely desorb a previously surface-adsorbed oxygen atom producing CO and CO₂ molecules in the gas phase. By comparison, the (111) surface is better suited for oxyg ...
DOI:
10.1021/acs.langmuir.7b03456

10. Adsorption of Carbonyl Sulfide on Propylamine Tethered to Porous Silica

Author:
Bacsik, Zoltán; Hedin, Niklas
Source:
Langmuir 2018 v.34 no.26 pp. 7708-7713
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorbents; adsorption; amines; aqueous solutions; carbonyl sulfide; flue gas; infrared spectroscopy; moieties; natural gas; silica;     Show all 11 Subjects
Abstract:
... Carbonyl sulfide (COS) reacts slowly with amines in the aqueous solutions used to absorb CO₂ from natural gas and flue gas and can also deactivate certain aqueous amines. The effects of COS on amines tethered to porous silica, however, have not been investigated before. Hence, the adsorption of COS on aminopropyl groups tethered to porous silica was studied using in situ IR spectroscopy. COS chemi ...
DOI:
10.1021/acs.langmuir.8b01371

11. Adsorption of n-Pentane on Mesoporous Silica and Adsorbent Deformation

Author:
Gor, Gennady Yu.; Paris, Oskar; Prass, Johannes; Russo, Patrícia A.; Ribeiro Carrott, M. Manuela L.; Neimark, Alexander V.
Source:
Langmuir 2013 v.29 no.27 pp. 8601-8608
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorbents; adsorption; coalbed methane; deformation; modulus of elasticity; pentane; porous media; prediction; silica; thermodynamics;     Show all 11 Subjects
Abstract:
... Development of quantitative theory of adsorption-induced deformation is important, e.g., for enhanced coalbed methane recovery by CO₂ injection. It is also promising for the interpretation of experimental measurements of elastic properties of porous solids. We study deformation of mesoporous silica by n-pentane adsorption. The shape of experimental strain isotherms for this system differs from the ...
DOI:
10.1021/la401513n

12. Adsorption of Surface-Modified Silica Nanoparticles to the Interface of Melt Poly(lactic acid) and Supercritical Carbon Dioxide

Author:
Sarikhani, K.; Jeddi, K.; Thompson, R. B.; Park, C. B.; Chen, P.
Source:
Langmuir 2015 v.31 no.20 pp. 5571-5579
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; contact angle; energy; foams; melting; nanoparticles; polylactic acid; polymer nanocomposites; scanning electron microscopy; silica; surface tension; temperature;     Show all 13 Subjects
Abstract:
... With the purpose of fabricating polymer nanocomposite foams and preventing coalescence in foaming processes, the interfacial tension of poly(lactic acid) (PLA)–silica composites is investigated in this work. Synthesized silica nanoparticles (SNs) with a CO₂-philic surface modification are used as the dispersed nanoparticles. Interfacial tension is a key parameter in processing of polymer foams sin ...
DOI:
10.1021/acs.langmuir.5b00306

13. Adsorption Process of CO2 on Silicalite-1 Zeolite Using Single-Crystal X-ray Method

Author:
Fujiyama, Shinjiro; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu
Source:
Langmuir 2014 v.30 no.13 pp. 3749-3753
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; X-radiation; adsorption; van der Waals forces; zeolites;     Show all 5 Subjects
Abstract:
... The process of CO₂ adsorption on silicalite-1 zeolite (MFI-type) is revealed using a single-crystal X-ray method. The structure of CO₂-silicalite-1 with a small amount of CO₂ in the pore is determined, wherein most of CO₂ molecules are located in the straight channel. It indicates the straight channel is the most stable sorption site based on the van der Waals interactions between the CO₂ and the ...
DOI:
10.1021/la404962e

14. Adsorption Thicknesses of Confined Pure and Mixing Fluids in Nanopores

Author:
Zhang, Kaiqiang; Jia, Na; Liu, Lirong
Source:
Langmuir 2018 v.34 no.43 pp. 12815-12826
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; alkanes; carbon; equations; mixing; models; nanopores; sorption isotherms; temperature; thermodynamics;     Show all 11 Subjects
Abstract:
... In this paper, adsorption thicknesses of confined pure and mixing fluids in nanopores are quantitatively determined and their influential factors are specifically evaluated. First, a new analytical formulation is developed thermodynamically to calculate the adsorption thicknesses. Second, a new generalized equation of state (EOS), which considers the confinement effect-induced phenomena, is develo ...
DOI:
10.1021/acs.langmuir.8b02925

15. Advanced Structural Analysis of Nanoporous Materials by Thermal Response Measurements

Author:
Oschatz, Martin; Leistner, Matthias; Nickel, Winfried; Kaskel, Stefan
Source:
Langmuir 2015 v.31 no.13 pp. 4040-4047
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorbents; adsorption; butanes; calorimetry; carbon; desorption; enthalpy; gases; models; nanopores; temperature;     Show all 12 Subjects
Abstract:
... Thermal response measurements based on optical adsorption calorimetry are presented as a versatile tool for the time-saving and profound characterization of the pore structure of porous carbon-based materials. This technique measures the time-resolved temperature change of an adsorbent during adsorption of a test gas. Six carbide and carbon materials with well-defined nanopore architecture includi ...
DOI:
10.1021/acs.langmuir.5b00490

16. Aerosol Synthesis of Self-Organized Nanostructured Hollow and Porous Carbon Particles Using a Dual Polymer System

Author:
Balgis, Ratna; Ogi, Takashi; Wang, Wei-Ning; Anilkumar, Gopinathan M.; Sago, Sumihito; Okuyama, Kikuo
Source:
Langmuir 2014 v.30 no.38 pp. 11257-11262
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; aerosols; carbon; diameter; electrostatic interactions; latex; phenolic resins; polystyrenes; pyrolysis; ultrasonics; zeta potential;     Show all 12 Subjects
Abstract:
... A facile method for designing and synthesizing nanostructured carbon particles via ultrasonic spray pyrolysis of a self-organized dual polymer system comprising phenolic resin and charged polystyrene latex is reported. The method produces either hollow carbon particles, whose CO₂ adsorption capacity is 3.0 mmol g–¹, or porous carbon particles whose CO₂ adsorption capacity is 4.8 mmol g–¹, although ...
DOI:
10.1021/la502545d

17. Ag Nanoparticles from the Mechanochemical Decomposition of Ag Oxalate

Author:
Delogu, Francesco
Source:
Langmuir 2012 v.28 no.29 pp. 10898-10904
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; X-ray diffraction; aqueous solutions; chemical reactions; mechanical loads; nanosilver; oxalates; plastic deformation; powders; silver; spectral analysis; surfactants; transmission electron microscopy; ultraviolet-visible spectroscopy;     Show all 14 Subjects
Abstract:
... The present work focuses on the chemical reactivity of Ag oxalate powders under mechanical processing conditions. The powders were submitted to mechanical loads in the presence of an aqueous solution containing a polymeric surfactant. A gradual decrease of the total mass of powders was observed, ascribable to the occurrence of a decomposition process. X-ray diffraction and UV–vis spectrophotometri ...
DOI:
10.1021/la301770f

18. An Adsorbent Performance Indicator as a First Step Evaluation of Novel Sorbents for Gas Separations: Application to Metal–Organic Frameworks

Author:
Wiersum, Andrew D.; Chang, Jong-San; Serre, Christian; Llewellyn, Philip L.
Source:
Langmuir 2013 v.29 no.10 pp. 3301-3309
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorbents; adsorption; ambient temperature; carbon; coordination polymers; methane; natural gas; zeolites;     Show all 9 Subjects
Abstract:
... An adsorbent performance indicator (API) is proposed in an effort to initially highlight porous materials of potential interest for PSA separation processes. This expression takes into account working capacities, selectivities, and adsorption energies and additionally uses weighting factors to reflect the specific requirements of a given process. To demonstrate the applicability of the API, we hav ...
DOI:
10.1021/la3044329

19. Anodized Indium Metal Electrodes for Enhanced Carbon Dioxide Reduction in Aqueous Electrolyte

Author:
Detweiler, Zachary M.; White, James L.; Bernasek, Steven L.; Bocarsly, Andrew B.
Source:
Langmuir 2014 v.30 no.25 pp. 7593-7600
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; bicarbonates; electrochemistry; electrodes; electrolytes; formates; indium; oxidation;     Show all 8 Subjects
Abstract:
... The interactions of CO₂ with indium metal electrodes have been characterized for electrochemical formate production. The electrode oxidation state, morphology, and voltammetric behaviors were systematically probed. It was found that an anodized indium electrode stabilized formate production over time compared to etched indium electrodes and indium electrodes bearing a native oxide in applied poten ...
DOI:
10.1021/la501245p

20. Application of the CLAYFF and the DREIDING Force Fields for Modeling of Alkylated Quartz Surfaces

Author:
Abramov, Aleksandr; Iglauer, Stefan
Source:
Langmuir 2019 v.35 no.17 pp. 5746-5752
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; carbon; density functional theory; droplets; hydrocarbons; hydrogen; hydrophobicity; models; moieties; oils; oxygen; quartz;     Show all 12 Subjects
Abstract:
... To extend applicability and to overcome limitations of combining rules for nonbond potential parameters, in this study, CLAYFF and DREIDING force fields are coupled at the level of atomic site charges to model quartz surfaces with chemisorpt hydrocarbons. Density functional theory and Bader charge analysis are applied to calculate charges of atoms of the OC bond connecting a quartz crystal and an ...
DOI:
10.1021/acs.langmuir.9b00527

21. Aragonite Crystals Grown on Bones by Reaction of CO2 with Nanostructured Ca(OH)2 in the Presence of Collagen. Implications in Archaeology and Paleontology

Author:
Natali, Irene; Tempesti, Paolo; Carretti, Emiliano; Potenza, Mariangela; Sansoni, Stefania; Baglioni, Piero; Dei, Luigi
Source:
Langmuir 2014 v.30 no.2 pp. 660-668
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; Fourier transform infrared spectroscopy; aragonite; archaeology; atmospheric pressure; atomic force microscopy; bones; calcite; calcium carbonate; calcium hydroxide; carbonation; collagen; crystallization; crystals; energy-dispersive X-ray analysis; helium; nanoparticles; osteoporosis; paleontology; scanning electron microscopy; strength (mechanics);     Show all 21 Subjects
Abstract:
... The loss of mechanical properties affecting archeological or paleontological bones is often caused by demineralization processes that are similar to those driving the mechanisms leading to osteoporosis. One simple way to harden and to strengthen demineralized bone remains could be the in situ growth of CaCO₃ crystals in the aragonite polymorph – metastable at atmospheric pressure −which is known t ...
DOI:
10.1021/la404085v

22. Assessment of CO2 Adsorption Capacity on Activated Carbons by a Combination of Batch and Dynamic Tests

Author:
Balsamo, Marco; Silvestre-Albero, Ana; Silvestre-Albero, Joaquín; Erto, Alessandro; Rodríguez-Reinoso, Francisco; Lancia, Amedeo
Source:
Langmuir 2014 v.30 no.20 pp. 5840-5848
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; activated carbon; adsorption; equipment; flue gas; nitrogen; olives; porosity; temperature; thermodynamics;     Show all 10 Subjects
Abstract:
... In this work, batch and dynamic adsorption tests are coupled for an accurate evaluation of CO₂ adsorption performance of three different activated carbons (AC) obtained from olive stones by chemical activation followed by physical activation with CO₂ at varying times (i.e., 20, 40, and 60 h). Kinetic and thermodynamic CO₂ adsorption tests from simulated flue gas at different temperatures and CO₂ p ...
DOI:
10.1021/la500780h

23. Atomistic Model of Micelle-Templated Mesoporous Silicas: Structural, Morphological, and Adsorption Properties

Author:
Coasne, Benoit; Ugliengo, Piero
Source:
Langmuir 2012 v.28 no.30 pp. 11131-11141
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; X-ray diffraction; adsorption; electron microscopy; hydrophilicity; hydrophobicity; mathematical models; neutrons; nitrogen; porous media; sorption isotherms;     Show all 11 Subjects
Abstract:
... The structural, morphological, and adsorption properties of MCM-41 porous silicas are investigated using a realistic numerical model obtained by means of ab initio calculations [Ugliengo, P.; et al. Adv. Mater.2008, 20, 1]. Simulated X-ray diffraction, small angle neutron scattering, and electronic microscopy for the atomistic model are in good agreement with experimental data. The morphological f ...
DOI:
10.1021/la3022529

24. Atomistic Study of Dynamic Contact Angles in CO₂–Water–Silica System

Author:
Huang, Pengyu; Shen, Luming; Gan, Yixiang; Maggi, Federico; El-Zein, Abbas; Pan, Zhejun
Source:
Langmuir 2019 v.35 no.15 pp. 5324-5332
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; contact angle; equations; molecular dynamics; silica; simulation models;     Show all 6 Subjects
Abstract:
... The dynamic wetting for the CO₂–water–silica system occurring in deep reservoirs is complex because of the interactions among multiple phases. This work aims to quantify the contact angle of CO₂–water flow in the silica channel at six different flow velocities using molecular dynamics. The dynamic contact angle values at different contact line velocities are obtained for the CO₂–water–silica syste ...
DOI:
10.1021/acs.langmuir.9b00076

25. Attachment, Coalescence, and Spreading of Carbon Dioxide Nanobubbles at Pyrite Surfaces

Author:
Vaziri Hassas, Behzad; Jin, Jiaqi; Dang, Liem X.; Wang, Xuming; Miller, Jan D.
Source:
Langmuir 2018 v.34 no.47 pp. 14317-14327
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; atomic force microscopy; bubbles; carbonates; gold; molecular dynamics; nanobubbles; nitrogen; pyrite;     Show all 9 Subjects
Abstract:
... Recently, it was reported that using CO₂ as a flotation gas increases the flotation of auriferous pyrite from high carbonate gold ores of the Carlin Trend. In this regard, the influence of CO₂ on bubble attachment at fresh pyrite surfaces was measured in the absence of collector using an induction timer, and it was found that nitrogen bubble attachment time was significantly reduced from 30 ms to ...
DOI:
10.1021/acs.langmuir.8b02929

26. Au Nanoparticles Deposited on Magnetic Carbon Nanofibers as the Ultrahigh Sensitive Substrate for Surface-Enhanced Raman Scattering: Detections of Rhodamine 6G and Aromatic Amino Acids

Author:
Wu, Hung-Chi; Chen, Tse-Ching; Tsai, Hsing-Jui; Chen, Ching-Shiun
Source:
Langmuir 2018 v.34 no.47 pp. 14158-14168
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; Raman spectroscopy; X-ray diffraction; X-ray photoelectron spectroscopy; adsorption; carbon; carbon nanofibers; carboxylic acids; catalysts; gold; hydrogenation; liver diseases; magnetic separation; magnetism; nanogold; nanoparticles; nickel; phenylalanine; rhodamines; surface area; transmission electron microscopy; tyrosine; wavelengths; zeta potential;     Show all 24 Subjects
Abstract:
... Surface-enhanced Raman scattering (SERS) is a unique spectroscopy that can offer high-sensitive detection for many molecules. Herein, the Au particles deposited on carbon nanofiber-encapsulated magnetic Ni nanoparticles (NPs) (Ni@CNFs@Au) have been successfully synthesized for SERS measurements. The Ni@CNFs@Au substrates have the advantages of a high SERS sensitivity and good magnetic response. Th ...
DOI:
10.1021/acs.langmuir.8b02488

27. Bendable Zeolite Membranes: Synthesis and Improved Gas Separation Performance

Author:
Wang, Bo; Ho, W. S. Winston; Figueroa, Jose D.; Dutta, Prabir K.
Source:
Langmuir 2015 v.31 no.24 pp. 6894-6901
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; climate change; coatings; crystallization; fossil fuels; manufacturing; nitrogen; polydimethylsiloxane; zeolites;     Show all 9 Subjects
Abstract:
... Separation and sequestration of CO₂ emitted from fossil energy fueled electric generating units and industrial facilities will help in reducing anthropogenic CO₂, thereby mitigating its adverse climate change effects. Membrane-based gas separation has the potential to meet the technical challenges of CO₂ separation if high selectivity and permeance with low costs for large-scale manufacture are re ...
DOI:
10.1021/acs.langmuir.5b01306

28. Benzyl Alcohol Oxidation on Pd(111): Aromatic Binding Effects on Alcohol Reactivity

Author:
Williams, Rhea M.; Medlin, J. Will
Source:
Langmuir 2014 v.30 no.16 pp. 4642-4653
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; benzaldehyde; benzene; benzyl alcohol; carbon monoxide; cleavage (chemistry); desorption; energy; isotope labeling; oxidation; oxygen; spectroscopy; toluene;     Show all 13 Subjects
Abstract:
... To investigate how surface oxygen participates in the reaction of important aromatic oxygenates, the surface chemistry of benzyl alcohol (PhCH₂OH) and benzaldehyde (PhCHO) has been studied on oxygen-precovered Pd(111) (O/Pd(111)) using temperature-programmed desorption (TPD) and high-resolution electron energy loss spectroscopy (HREELS). On both Pd(111) and O/Pd(111), TPD using isotopically labele ...
DOI:
10.1021/la5001304

29. Biotite Dissolution in Brine at Varied Temperatures and CO2 Pressures: Its Activation Energy and Potential CO2 Intercalation

Author:
Hu, Yandi; Jun, Young-Shin
Source:
Langmuir 2012 v.28 no.41 pp. 14633-14641
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; activation energy; aquifers; bicarbonates; biotite; carbon sequestration; cracking; illite; mica; nitrogen; pH; silicon; sodium chloride; surface area; temperature;     Show all 15 Subjects
Abstract:
... For sustainable geologic CO₂ sequestration (GCS), it is important to understand the effects of temperature and CO₂ pressure on mica’s dissolution and surface morphological changes under saline hydrothermal conditions. Batch experiments were conducted with biotite (Fe-end member mica) under conditions relevant to GCS sites (35–95 °C and 75–120 atm CO₂), and 1 M NaCl solution was used to mimic the b ...
DOI:
10.1021/la3028995

30. Breathable Microgel Colloidosome: Gas-Switchable Microcapsules with O2 and CO2 Tunable Shell Permeability for Hierarchical Size-Selective Control Release

Author:
Lei, Lei; Zhang, Qi; Shi, Shuxian; Zhu, Shiping
Source:
Langmuir 2017 v.33 no.24 pp. 6108-6115
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; crosslinking; dextran; emulsions; ingredients; models; nitrogen; oil-water interface; oxygen; permeability; propylene glycol;     Show all 11 Subjects
Abstract:
... Microcapsules enabling precise delivery and controlled release are highly desirable. However, it is still challenging to control the release profile by regulating the microcapsule shell permeability. In this work, gas-switchable microgel colloidosome (MGC) with oxygen (O₂) and carbon dioxide (CO₂) dual gas-tunable shell permeability has been developed and tested for control release of water-solubl ...
DOI:
10.1021/acs.langmuir.7b01092

31. Capillary Condensation of Binary and Ternary Mixtures of n-Pentane–Isopentane–CO2 in Nanopores: An Experimental Study on the Effects of Composition and Equilibrium

Author:
Barsotti, Elizabeth; Saraji, Soheil; Tan, Sugata P.; Piri, Mohammad
Source:
Langmuir 2018 v.34 no.5 pp. 1967-1980
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; chromatography; gravimetry; nanopores; pentane; phase transition;     Show all 6 Subjects
Abstract:
... Confinement in nanopores can significantly impact the chemical and physical behavior of fluids. While some quantitative understanding is available for how pure fluids behave in nanopores, there is little such insight for mixtures. This study aims to shed light on how nanoporosity impacts the phase behavior and composition of confined mixtures through comparison of the effects of static and dynamic ...
DOI:
10.1021/acs.langmuir.7b04134

32. Carbohydrate-Derived Hydrothermal Carbons: A Thorough Characterization Study

Author:
Yu, Linghui; Falco, Camillo; Weber, Jens; White, Robin J.; Howe, Jane Y.; Titirici, Maria-Magdalena
Source:
Langmuir 2012 v.28 no.33 pp. 12373-12383
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; biomass; carbon; elemental composition; glucose; heat treatment; hydrothermal carbonization; moieties; nitrogen; porosity; starch; sucrose; thermogravimetry; xylose;     Show all 15 Subjects
Abstract:
... Hydrothermal carbonization (HTC) is an aqueous-phase route to produce carbon materials using biomass or biomass-derived precursors. In this paper, a comprehensive physicochemical and textural characterization of HTC materials obtained using four different precursors, namely, xylose, glucose, sucrose, and starch, is presented. The development of porosity in the prepared HTC materials as a function ...
DOI:
10.1021/la3024277

33. Carbon Dioxide and Nitrogen Adsorption on Cation-Exchanged SSZ-13 Zeolites

Author:
Pham, Trong D.; Liu, Qingling; Lobo, Raul F.
Source:
Langmuir 2013 v.29 no.2 pp. 832-839
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorbents; adsorption; aluminum; ambient temperature; cations; flue gas; lithium; nitrogen; potassium; protons; silicon; sodium; sorption isotherms; zeolites;     Show all 15 Subjects
Abstract:
... Samples of high-silica SSZ-13, ion exchanged with protons and alkali-metal cations Li⁺, Na⁺, and K⁺, were investigated using adsorption isotherms of CO₂ and N₂. The results show that Li-, Na-SSZ-13 have excellent CO₂ capacity at ambient temperature and pressure; in general, Li-SSZ-13 shows the highest capacity for N₂, CO₂ particularly in the low-pressure region. The effect of cation type and Si/Al ...
DOI:
10.1021/la304138z

34. Catalytic and Electrocatalytic Oxidation of Ethanol over Palladium-Based Nanoalloy Catalysts

Author:
Yin, Jun; Shan, Shiyao; Ng, Mei Shan; Yang, Lefu; Mott, Derrick; Fang, Weiqin; Kang, Ning; Luo, Jin; Zhong, Chuan-Jian
Source:
Langmuir 2013 v.29 no.29 pp. 9249-9258
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; acetic acid; acid treatment; aldehydes; alloy nanoparticles; alloys; catalysts; catalytic activity; chemical bonding; cleavage (chemistry); cobalt; copper; electrochemistry; electrolysis; electrolytes; ethanol; gases; oxidation; palladium;     Show all 19 Subjects
Abstract:
... The control of the nanoscale composition and structure of alloy catalysts plays an important role in heterogeneous catalysis. This paper describes novel findings of an investigation for Pd-based nanoalloy catalysts (PdCo and PdCu) for ethanol oxidation reaction (EOR) in gas phase and alkaline electrolyte. Although the PdCo catalyst exhibits a mass activity similar to Pd, the PdCu catalyst is shown ...
DOI:
10.1021/la401839m

35. CeO₂-Decorated ?-MnO₂ Nanotubes: A Highly Efficient and Regenerable Sorbent for Elemental Mercury Removal from Natural Gas

Author:
Chalkidis, Anastasios; Jampaiah, Deshetti; Amin, Mohamad Hassan; Hartley, Patrick G.; Sabri, Ylias M.; Bhargava, Suresh K.
Source:
Langmuir 2019 v.35 no.25 pp. 8246-8256
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; ceric oxide; hydrogen sulfide; manganese; mercury; nanotubes; natural gas; oxygen; sorbents; surface area; synergism; vapors;     Show all 12 Subjects
Abstract:
... CeO₂ nanoparticle-decorated ?-MnO₂ nanotubes (NTs) were prepared and tested for elemental mercury (Hg⁰) vapor removal in simulated natural gas mixtures at ambient conditions. The composition which had the largest surface area and a relative Ce/Mn atomic weight ratio of around 35% exhibited a maximum Hg⁰ uptake capacity exceeding 20 mg?g?¹ (2 wt %), as determined from measurements of mercury breakt ...
DOI:
10.1021/acs.langmuir.9b00835

36. Characterization of Micro- and Mesoporous Materials Using Accelerated Dynamics Adsorption

Author:
Qajar, Ali; Peer, Maryam; Rajagopalan, Ramakrishnan; Foley, Henry C.
Source:
Langmuir 2013 v.29 no.40 pp. 12400-12409
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; algorithms; ambient temperature; argon (noble gases); catalytic activity; methyl chloride; nitrogen; porosity; porous media;     Show all 10 Subjects
Abstract:
... Porosimetry is a fundamental characterization technique used in development of new porous materials for catalysis, membrane separation, and adsorptive gas storage. Conventional methods like nitrogen and argon adsorption at cryogenic temperatures suffer from slow adsorption dynamics especially for microporous materials. In addition, CO₂, the other common probe, is only useful for micropore characte ...
DOI:
10.1021/la400999j

37. CO2 Absorption and Sequestration as Various Polymorphs of CaCO3 Using Sterically Hindered Amine

Author:
Vinoba, Mari; Bhagiyalakshmi, Margandan; Grace, Andrews Nirmala; Chu, Dae Hyun; Nam, Sung Chan; Yoon, Yeoil; Yoon, Sung Ho; Jeong, Soon Kwan
Source:
Langmuir 2013 v.29 no.50 pp. 15655-15663
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; absorbents; absorption; adenosine monophosphate; anions; bicarbonates; calcite; calcium; calcium carbonate; calcium chloride; carbonate dehydratase; carbonation; catalytic activity; crystals; enthalpy; fossil fuels; global warming; greenhouse gas emissions; nuclear magnetic resonance spectroscopy; phase transition; spectral analysis; vaterite; zwitterions;     Show all 23 Subjects
Abstract:
... One aspect of the attempt to restrain global warming is the reduction of the levels of atmospheric CO₂ produced by fossil fuel power systems. This study attempted to develop a method that reduces CO₂ emissions by investigating the absorption of CO₂ into sterically hindered amine 2-amino-2-methyl-1-propanol (AMP), the acceleration of the absorption rate by using the enzyme carbonic anhydrase (CA), ...
DOI:
10.1021/la403671y

38. CO2 Absorption in the Ionic Liquids Immobilized on Solid Surface by Molecular Dynamics Simulation

Author:
Tang, Ziqian; Lu, Linghong; Dai, Zhongyang; Xie, Wenlong; Shi, Lili; Lu, Xiaohua
Source:
Langmuir 2017 v.33 no.42 pp. 11658-11669
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; absorption; anions; cations; graphene; hydrophilicity; hydrophobicity; ionic liquids; molecular dynamics; titanium dioxide;     Show all 10 Subjects
Abstract:
... Based on our previous experimental research, we studied the absorption of CO₂ in the ionic liquid, 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([hmim][Tf₂N]), immobilized on TiO₂ [rutile (110) ] with different thickness by molecular dynamics simulation. The effects of the properties (hydrophobicity and hydrophilicity) of solid interfaces were also studied with IL immobilized on g ...
DOI:
10.1021/acs.langmuir.7b02044

39. CO2 Adsorption in Mono-, Di- and Trivalent Cation-Exchanged Metal–Organic Frameworks: A Molecular Simulation Study

Author:
Chen, Y. F.; Nalaparaju, A.; Eddaoudi, M.; Jiang, J. W.
Source:
Langmuir 2012 v.28 no.8 pp. 3903-3910
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; aluminum; calcium; cations; cesium; coordination polymers; heat; magnesium; nanopores; potassium; rubidium; sodium;     Show all 13 Subjects
Abstract:
... A molecular simulation study is reported for CO₂ adsorption in rho zeolite-like metal–organic framework (rho-ZMOF) exchanged with a series of cations (Na⁺, K⁺, Rb⁺, Cs⁺, Mg²⁺, Ca²⁺, and Al³⁺). The isosteric heat and Henry’s constant at infinite dilution increase monotonically with increasing charge-to-diameter ratio of cation (Cs⁺ < Rb⁺ < K⁺ < Na⁺ < Ca²⁺ < Mg²⁺ < Al³⁺). At low pressures, cations a ...
DOI:
10.1021/la205152f

40. CO2 Adsorption Thermodynamics over N-Substituted/Grafted Graphanes: A DFT Study

Author:
Xiao, Jing; Sitamraju, Siddarth; Janik, Michael J.
Source:
Langmuir 2014 v.30 no.7 pp. 1837-1844
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorbents; adsorption; carbon; heat production; moieties;     Show all 6 Subjects
Abstract:
... This work examines CO₂ adsorption over various N-substituted/grafted graphanes to identify the promotional effects of various N-functionalities have on the adsorption characteristics using DFT. CO₂ adsorbs weakly on a graphane surface functionalized with a single, isolated substituted N- or grafted NH₂-sites. The presence of coadsorbed H₂O on the surface promotes CO₂ adsorption on both N- and NH₂- ...
DOI:
10.1021/la4048837

41. CO2 and Redox Dual Responsive Pickering Emulsion

Author:
Zhang, Yongmin; Guo, Shuang; Ren, Xiaofei; Liu, Xuefeng; Fang, Yun
Source:
Langmuir 2017 v.33 no.45 pp. 12973-12981
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; cosmetics; desorption; droplet size; drugs; electrostatic interactions; emulsifying; emulsions; hydrogen bonding; hydrogen peroxide; medicine; nanoparticles; nitrogen; selenium; silica;     Show all 16 Subjects
Abstract:
... Herein, we described for the first time a CO₂ and redox dual responsive paraffin oil-in-water Pickering emulsion stabilized by the modified silica nanoparticles with Se-containing tertiary amine, SeTA, in which the tertiary amine serves as a CO₂-sensitive group, and the Se atom serves as a redox-sensitive center. The Pickering emulsion can be reversibly switched between stable and unstable states ...
DOI:
10.1021/acs.langmuir.7b02976

42. CO2-Controllable Foaming and Emulsification Properties of the Stearic Acid Soap Systems

Author:
Xu, Wenlong; Gu, Hongyao; Zhu, Xionglu; Zhong, Yingping; Jiang, Liwen; Xu, Mengxin; Song, Aixin; Hao, Jingcheng
Source:
Langmuir 2015 v.31 no.21 pp. 5758-5766
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; defoaming; differential scanning calorimetry; emulsifiers; emulsifying; emulsifying properties; foaming; industrial applications; microstructure; phase transition; physical phases; soaps; solubility; stearic acid; surfactants; temperature; transmission electron microscopy; viscosity;     Show all 18 Subjects
Abstract:
... Fatty acids, as a typical example of stearic acid, are a kind of cheap surfactant and have important applications. The challenging problem of industrial applications is their solubility. Herein, three organic aminesethanolamine (EA), diethanolamine (DEA), and triethanolamine (TEA)were used as counterions to increase the solubility of stearic acid, and the phase behaviors were investigated system ...
DOI:
10.1021/acs.langmuir.5b01295

43. Co–Cu Nanoparticles: Synthesis by Galvanic Replacement and Phase Rearrangement during Catalytic Activation

Author:
Nafria, Raquel; Genç, Aziz; Ibáñez, Maria; Arbiol, Jordi; Ramírez de la Piscina, Pilar; Homs, Narcís; Cabot, Andreu
Source:
Langmuir 2016 v.32 no.9 pp. 2267-2276
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; air; catalysts; catalytic activity; cobalt; crystallites; cupric oxide; hydrogen; hydrogenation; nanocomposites; nanoparticles; porous media; silica;     Show all 13 Subjects
Abstract:
... The control of the phase distribution in multicomponent nanomaterials is critical to optimize their catalytic performance. In this direction, while impressive advances have been achieved in the past decade in the synthesis of multicomponent nanoparticles and nanocomposites, element rearrangement during catalyst activation has been frequently overseen. Here, we present a facile galvanic replacement ...
DOI:
10.1021/acs.langmuir.5b04622

44. CO2 Deactivation of Supported Amines: Does the Nature of Amine Matter?

Author:
Sayari, Abdelhamid; Belmabkhout, Youssef; Da’na, Enshirah
Source:
Langmuir 2012 v.28 no.9 pp. 4241-4247
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorbents; adsorption; porous media; primary amines; secondary amines; temperature; tertiary amines; urea;     Show all 9 Subjects
Abstract:
... Adsorption of CO₂ was investigated on a series of primary, secondary, and tertiary monoamine-grafted pore-expanded mesoporous MCM-41 silicas, referred to as pMONO, sMONO, and tMONO, respectively. The pMONO adsorbent showed the highest CO₂ adsorption capacity, followed by sMONO, whereas tMONO exhibited hardly any CO₂ uptake. As for the stability in the presence of dry CO₂, we showed in a previous c ...
DOI:
10.1021/la204667v

45. CO2 Electroreduction at Bare and Cu-Decorated Pd Pseudomorphic Layers: Catalyst Tuning by Controlled and Indirect Supporting onto Au(111)

Author:
Januszewska, Aneta; Jurczakowski, Rafal; Kulesza, Pawel J.
Source:
Langmuir 2014 v.30 no.47 pp. 14314-14321
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; carbon monoxide; catalysts; catalytic activity; copper; electrochemistry; electrodes; gold; palladium;     Show all 9 Subjects
Abstract:
... We report here the results of electrochemical studies on CO₂ electroreduction at multilayered catalyst composed of the monatomic layer of copper covering palladium overlayers (0.8–10 monolayers) deposited on the well-defined Au(111) surface. These multilayered systems were obtained by successive underpotential deposition steps: Pd on Au(111) as well as Cu on Pd/Au(111). Low index orientation of Au ...
DOI:
10.1021/la5025247

46. CO Guest Interactions in SDB-Based Metal–Organic Frameworks: A Solid-State Nuclear Magnetic Resonance Investigation

Author:
Wong, Y. T. Angel; Babcock, Troy K.; Chen, Shoushun; Lucier, Bryan E. G.; Huang, Yining
Source:
Langmuir 2018 v.34 no.51 pp. 15640-15649
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; carbon; carbon monoxide; coordination polymers; nuclear magnetic resonance spectroscopy; physical properties; stable isotopes;     Show all 8 Subjects
Abstract:
... Metal–organic frameworks (MOFs) are promising materials for greener carbon monoxide (CO) capture and separation processes. SDB-based (SDB = 4,4’-sulfonyldibenzoate) MOFs are particularly attractive due to their remarkable gas adsorption capacity under humid conditions. However, to the best of our knowledge, their CO adsorption abilities have yet to be investigated. In this report, CO-loaded PbSDB ...
DOI:
10.1021/acs.langmuir.8b02205

47. CO2-Induced Reversible Dispersion of Graphene by a Melamine Derivative

Author:
Yin, Hongyao; Liu, Hanbin; Wang, Wei; Feng, Yujun
Source:
Langmuir 2015 v.31 no.44 pp. 12260-12267
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; desorption; graphene; graphene oxide; melamine; nitrogen; van der Waals forces;     Show all 8 Subjects
Abstract:
... Smart graphene with stimuli-responsive dispersity has great potential for applications in medical and biochemical fields. Nevertheless, reversible dispersion/aggregation of graphene in water with biocompatible and removable trigger still represents a crucial challenge. Here, we report CO₂-induced reversible graphene dispersion by noncovalent functionalization of reduced graphene oxide with N²,N⁴,N ...
DOI:
10.1021/acs.langmuir.5b02831

48. Competition between Hydrogen Evolution and Carbon Dioxide Reduction on Copper Electrodes in Mildly Acidic Media

Author:
Ooka, Hideshi; Figueiredo, Marta C.; Koper, Marc T. M.
Source:
Langmuir 2017 v.33 no.37 pp. 9307-9313
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; Fourier transform infrared spectroscopy; copper; electrodes; electrolytes; hydrogen production; pH; protons;     Show all 8 Subjects
Abstract:
... Understanding the competition between hydrogen evolution and CO₂ reduction is of fundamental importance to increase the faradaic efficiency for electrocatalytic CO₂ reduction in aqueous electrolytes. Here, by using a copper rotating disc electrode, we find that the major hydrogen evolution pathway competing with CO₂ reduction is water reduction, even in a relatively acidic electrolyte (pH 2.5). Th ...
DOI:
10.1021/acs.langmuir.7b00696
PubMed:
28453940
PubMed Central:
PMC5607460

49. Competitive Sorption of CO₂ with Gas Mixtures in Nanoporous Shale for Enhanced Gas Recovery from Density Functional Theory

Author:
Liu, Jinlu; Xi, Shun; Chapman, Walter G.
Source:
Langmuir 2019 v.35 no.24 pp. 8144-8158
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; Monte Carlo method; adsorption; contact angle; density functional theory; ethane; graphene; methane; models; molecular dynamics; molecular weight; nanopores; permeability; prediction; shale; shale gas; temperature;     Show all 17 Subjects
Abstract:
... CO₂ competitive sorption with shale gas under various conditions from simple to complex pore characteristics is studied using a molecular density functional theory (DFT) that reduces to perturbed chain-statistical associating fluid theory in the bulk fluid region. The DFT model is first verified by grand canonical Monte Carlo simulation in graphite slit pores for pure and binary component systems ...
DOI:
10.1021/acs.langmuir.9b00410

50. Computational Study of Adsorption and Separation of CO2, CH4, and N2 by an rht-Type Metal–Organic Framework

Author:
Zhang, Zhijuan; Li, Zhong; Li, Jing
Source:
Langmuir 2012 v.28 no.33 pp. 12122-12133
ISSN:
1520-5827
Subject:
carbon dioxide,   etc   ; adsorption; coordination polymers; electrostatic interactions; flue gas; methane; natural gas; nitrogen; porous media; sorbents; vapors;     Show all 11 Subjects
Abstract:
... In this work, a computational study is performed to evaluate the adsorption-based separation of CO₂ from flue gas (mixtures of CO₂ and N₂) and natural gas (mixtures of CO₂ and CH₄) using microporous metal organic framework Cu-TDPAT as a sorbent material. The results show that electrostatic interactions can greatly enhance the separation efficiency of this MOF for gas mixtures of different componen ...
DOI:
10.1021/la302537d