Carbon slit pore model incorporating surface energetical heterogeneity and geometrical corrugation
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201 citations
Cites methods from "Carbon slit pore model incorporatin..."
...The micropore pore size distributions (PSD) were determined from the adsorption branch of isotherms using the 2D NLDFT heterogeneous surface model for carbon materials for N2 and CO2 gases implemented in SAIEUS (Micromeritics) [30,31]....
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141 citations
140 citations
Cites methods from "Carbon slit pore model incorporatin..."
...To derive a meaningful micropore size distribution, the nitrogen adsorption isotherm is analyzed with a heterogeneous slit NLDFT model using SAIEUS software package [37, 38]....
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References
1,389 citations
"Carbon slit pore model incorporatin..." refers background in this paper
...…fluid theories such as non-local DFT (NLDFT) (Tarazona 1985, 1987; Lastoskie et al. 1993; Olivier et al. 1994) and the fundamental measure theory (Rosenfeld 1989) as well as grand canonical Monte Carlo simulations (GCMC) (Samios et al. 1997; López-Ramón et al. 1997; Ravikovitch et al. 2000;…...
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...1994) and the fundamental measure theory (Rosenfeld 1989) as well as grand canonical Monte Carlo simulations (GCMC) (Samios et al....
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1,379 citations
"Carbon slit pore model incorporatin..." refers methods in this paper
...The solid–fluid interaction potential in this model was described by the closed form formula (Steele 1973)....
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1,077 citations
"Carbon slit pore model incorporatin..." refers methods or result in this paper
...…(Evans and Tarazona 1984) this approach was then refined by using more advanced fluid theories such as non-local DFT (NLDFT) (Tarazona 1985, 1987; Lastoskie et al. 1993; Olivier et al. 1994) and the fundamental measure theory (Rosenfeld 1989) as well as grand canonical Monte Carlo simulations…...
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...Application of molecular models was initiated using density functional theory (DFT) in its local version (Evans and Tarazona 1984) this approach was then refined by using more advanced fluid theories such as non-local DFT (NLDFT) (Tarazona 1985, 1987; Lastoskie et al. 1993; Olivier et al. 1994) and the fundamental measure theory (Rosenfeld 1989) as well as grand canonical Monte Carlo simulations (GCMC) (Samios et al....
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...1 we also included the standard NLDFT model isotherm to show the dramatic difference in shape and values between that isotherm and the BP 280 data....
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...As a result of this assumption adsorption isotherms calculated by the non-local density functional theory (NLDFT) do not fit accurately the experimental N2 data measured for real activated carbons....
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...We use values of the LJ interaction parameters that were previously reported (Jagiello et al. 2011) and that are very similar to those used by other authors (Lastoskie et al. 1993; Ravikovitch et al. 2000)....
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912 citations
"Carbon slit pore model incorporatin..." refers background in this paper
...Since early studies of Franklin (1951) it has been understood that carbon structure consists of more or less curved graphene layers and recent studies using high resolution electron transmission microscopy (HRTEM) (Pre et al. 2013) and STEM (Guo et al. 2012) confirmed this concept and showed (Pre…...
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898 citations
"Carbon slit pore model incorporatin..." refers methods in this paper
...1 we also included the standard NLDFT model isotherm to show the dramatic difference in shape and values between that isotherm and the BP 280 data....
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...As a result of this assumption adsorption isotherms calculated by the non-local density functional theory (NLDFT) do not fit accurately the experimental N2 data measured for real activated carbons....
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...…in its local version (Evans and Tarazona 1984) this approach was then refined by using more advanced fluid theories such as non-local DFT (NLDFT) (Tarazona 1985, 1987; Lastoskie et al. 1993; Olivier et al. 1994) and the fundamental measure theory (Rosenfeld 1989) as well as grand canonical Monte…...
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...The most commonly used kernels for the characterization of porous carbons were J. Jagiello (&) J. P. Olivier Micromeritics Instrument Corporation, 4356 Communications Drive, Norcross, GA 30093, USA e-mail: jacek.jagiello@micromeritics.com kernels calculated using NLDFT for N2 at 77 K and Ar at 87 K assuming standard slit pore model....
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...We choose these data, because their PSD analysis with the standard NLDFT model showed significant artifacts....
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