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Adsorption-Induced Deformation of Microporous Carbons: Pore Size Distribution Effect
Open accessAbstract
We present a thermodynamic model of adsorption-induced deformation of microporous carbons. The model represents the carbon structure as a macroscopically isotropic disordered three-dimensional medium composed of stacks of slit-shaped pores of different sizes embedded in an incompressible amorphous matrix. Adsorption stress in pores is calculated by means of Monte Carlo simulations. The proposed model reproduces qualitatively the experimental nonmonotonic dilatometric deformation curve for argon adsorption on carbide-derived activated carbon at 243 K and pressure up to 1.2 MPa. The elastic deformation (contraction at low pressures and swelling at higher pressures) results from the adsorption stress that depends strongly on the pore size. The pore size distribution determines the shape of the deformation curve, whereas the bulk modulus controls the extent of the sample deformation.
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Cited by
Density functional theory methods for characterization of porous materials
Landers, J., Gor, G. Y., & Neimark, A. V. (2013) · Colloids and Surfaces A: Physicochemical and Engineering Aspects · doi:10.1016/j.colsurfa.2013.01.007 · Cited by 1,239
Self-citationSaha, D., Grappe, H. A., Chakraborty, A., & Orkoulas, G. (2016) · Chemical Reviews · doi:10.1021/acs.chemrev.5b00745 · Cited by 316
Stress-Based Model for the Breathing of Metal−Organic Frameworks
Neimark, A. V., Coudert, F.-X., Boutin, A., & Fuchs, A. H. (2010) · The Journal of Physical Chemistry Letters · doi:10.1021/jz9003087 · Cited by 254
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Metadata
- Authors
- Kowalczyk, P., Ciach, A., & Neimark, A. V.
- Venue
- Langmuir
- Publisher
- American Chemical Society (ACS)
- Published
- 2008-06-04
- Volume
- 24
- Issue
- 13
- Pages
- 6603-6608
- ISSN
- 0743-7463 (ISSN-L)
- 1520-5827
- OpenAlex
- W2076451369
- Cited by
- 159
- References
- 0
- FWCI
- 4.08
- Type
- journal article
- Language
- en
- Open access
- bronze
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