European inter-laboratory comparison of high pressure CO2 sorption isotherms. I: Activated carbon

Gensterblum, Yves; Hemert, P. van; Billemont, Pierre; Busch, Andreas; Charrière, Delphine; Li, D.; Krooß, Bernhard M.; Weireld, Guy De; Prinz, Dirk; Wolf, Karl‐Heinz

doi:10.1016/j.carbon.2009.06.046

Cited by 147 publications

(111 citation statements)

References 23 publications

Supporting

Mentioning

103

Contrasting

Order By: Relevance

“…Excess sorption is easier to measure unambiguously, but it requires the input of the pore volume [67][68][69]. In simulations, bulk fluid density and fugacities are obtained from biased test insertions in the NPT ensemble of the free gas.…”

Section: A) B)mentioning

confidence: 99%

Molecular Simulation of Adsorption in Microporous Materials

Yiannourakou

Ungerer

LeBlanc

et al. 2013

Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles

View full text Add to dashboard Cite

Re´sume´-Mode´lisation mole´culaire de l'adsorption dans les solides microporeux -L'existence de logiciels industriels, la baisse du couˆt du calcul et la disponibilite´de champs de force e´prouve´s rendent la simulation mole´culaire de plus en plus attrayante pour les applications du domaine du ge´nie chimique. Nous pre´sentons ici plusieurs applications des techniques de simulation de Monte-Carlo, applique´es a`l'adsorption de fluides dans des solides microporeux (pores < 2 nm) comme les ze´olithes et des structures microporeuses a`base de carbone. L'adsorption a e´teḿ ode´lise´e par simulation dans l'ensemble Grand Canonique graˆce au logiciel MedeA Ò -GIBBS, en utilisant des grilles tridimensionnelles de valeurs pre´-calcule´es de l'e´nergie pour optimiser le temps calcul. MedeA Ò -GIBBS a aussi e´te´utilise´pour obtenir les potentiels chimiques ou les fugacite´s dans les phases fluides libres au moyen de l'ensemble Canonique (NVT) ou de l'ensemble isotherme-isobare (NPT). Les re´sultats de simulation ont e´te´compare´s avec des donne´es expe´rimentales d'isothermes d'adsorption de corps purs (gaz hydrocarbures, eau, aromatiques, e´thanethiol) dans plusieurs ze´olithes et a`plusieurs tempe´ratures. La coadsorption de me´langes (me´thane-e´thane, n-hexane-benze`ne) dans les ze´olithes a aussi e´te´e´tudie´e. Par exemple, l'inversion de se´lectivite´n-hexane/benze`ne entre la silicalite et les Na-faujasites est bien pre´dite avec des champs de force publie´s, et permettent de comprendre les me´canismes sousjacents. De meˆme, les isothermes d'adsorption des hydrocarbures le´gers et d'un mercaptan (e´thyl-thiol) sont bien de´crite. En ce qui concerne les adsorbants organiques (ke´roge`ne et charbons matures), des mode`les mole´culaires moyens ont e´te´construits en rendant compte des principaux traits connus de la structure chimique de ces mate´riaux. Par une simple relaxation ab ase de dynamique mole´culaire, nous avons pu obtenir des densite´s moyennes en bon accord avec les donne´es expe´rimentales disponibles, ce qui est tre`s encourageant. Nous avons aussi de´termine´les courbes isothermes d'exce`s d'adsorption en bon accord qualitatif avec celles re´cemment mesure´es sur des e´chantillons de charbon ou d'argiles en l'absence d'eau. Bien que pre´liminaires, ces re´sultats illustrent la puissance et la ge´ne´ralite´de la mode´lisation mole´culaire en vue de la compre´hension de syste`mes complexes dans des conditions ou`l'expe´rimentation est difficile.Abstract -Molecular Simulation of Adsorption in Microporous Materials -The development of industrial software, the decreasing cost of computing time, and the availability of well-tested Oil & Gas Science and Technology -Rev. IFP Energies nouvelles, Vol. 68 (2013), No. 6, pp. 977-994 Copyright Ó 2013, IFP Energies nouvelles DOI: 10.2516 forcefields make molecular simulation increasingly attractive for chemical engineers. We present here several applications of Monte-Carlo simulation techniques, applied to the adsorption of fluids in microporous solids such as...

show abstract

Section: A) B)mentioning

confidence: 99%

Molecular Simulation of Adsorption in Microporous Materials

Yiannourakou

Ungerer

LeBlanc

et al. 2013

Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles

View full text Add to dashboard Cite

show abstract

“…16 Zhang et al have reported around 20% enhancement in CO 2 uptake by modifying the AC with nitrogen at room temperature and shown around 16 mmole/g adsorption capacity at 11 bar. 17 In our earlier study on MWNTs adsorption capacity was observed 11.7, 8.3 and 7 mmole/g at 11 bar pressure and 25, 50 and 100…”

Section: Fig 5 Ftir Spectrum Of Co 2 Adsorbed Hegmentioning

confidence: 99%

Carbon dioxide adsorption in graphene sheets

2011

View full text Add to dashboard Cite

Control over the CO2 emission via automobiles and industrial exhaust in atmosphere, is one of the major concerns to render environmental friendly milieu. Adsorption can be considered to be one of the more promising methods, offering potential energy savings compared to absorbent systems. Different carbon nanostructures (activated carbon and carbon nanotubes) have attracted attention as CO2 adsorbents due to their unique surface morphology. In the present work, we have demonstrated the CO2 adsorption capacity of graphene, prepared via hydrogen induced exfoliation of graphitic oxide at moderate temperatures. The CO2 adsorption study was performed using high pressure Sieverts apparatus and capacity was calculated by gas equation using van der Waals corrections. Physical adsorption of CO2 molecules in graphene was confirmed by FTIR study. Synthesis of graphene sheets via hydrogen exfoliation is possible at large scale and lower cost and higher adsorption capacity of as prepared graphene compared to other carbon nanostructures suggests its possible use as CO2 adsorbent for industrial application. Maximum adsorption capacity of 21.6 mmole/g was observed at 11 bar pressure and room temperature (25 ºC)

show abstract

“…Before everything else, Mishra and Ramaprabhu [105] reported CO 2 adsorption capacity, obtained by study of multiwalled carbon nanotubes, was observed to be 11.7, 8.3, and 7.0 mmol/g at 11 bar and 25 o C, 50 o C, and 100 o C, respectively. Also, Siriwardane et al [106] and Gensterblum et al [107] reported 7 mmol/g and 6 mmol/g, respectively, of CO 2 adsorption in activated carbon at 45 o C and 11 bar. Zhang et al [108] reported enhancement of around 20% in CO 2 uptake, which was achieved by modifying the AC with nitrogen at 298 K, and adsorption capacity was about 16 mmol/g adsorption capacity at 11 bar.…”

Section: Othersmentioning

confidence: 99%

Comprehensive review on synthesis and adsorption behaviors of graphene-based materials

Lee¹,

Park²

2012

Carbon letters

View full text Add to dashboard Cite

Graphene is the thinnest known materials in the universe and the strongest ever measured. Graphene has emerged as an exotic material of the 21st century and received world-wide attention due to its exceptional charge transport, thermal, optical, mechanical, and adsorptive properties. Recently, graphene and its derivatives are considered promising candidates as adsorbent for H 2 storage, CO 2 capture, etc. and as the sensors for detecting individual gas molecule. The main purpose of this review is to comprehensive the synthesis method of graphene and to brief the adsorption behaviors of graphene and its derivatives.

show abstract

European inter-laboratory comparison of high pressure CO2 sorption isotherms. I: Activated carbon

Cited by 147 publications

References 23 publications

Molecular Simulation of Adsorption in Microporous Materials

Molecular Simulation of Adsorption in Microporous Materials

Carbon dioxide adsorption in graphene sheets

Comprehensive review on synthesis and adsorption behaviors of graphene-based materials

Contact Info

Product

Resources

About