TY - JOUR
T1 - Chemical potentials and adsorption isotherms of polymers confined between parallel plates
AU - Vega, Lourdes F.
AU - Panagiotopoulos, Athanassios Z.
AU - Gubbins, Keith E.
N1 - Funding Information:
provided by the Department of Energy (Office of Basic Enerev Sciencesl. Additional suuport has been Drovided by a Nat&al Scienck Foundation +?I award to AZP. AZP & a Camille and Henry Dreyfus Teacher-Scholar. We thank the Pittsburgh Supercomputing Center for Cray C-90 time allocation and the Cornell Theory Center for an SP-1 “early user” account. We would like to thank Erich Miiller, Yu-Jane Sheng, Ben Widom and Igal Szleifer for helpful discussions. We are grateful to Jordi To& for his help with the computer codiig. We are thankful to the anon-$nous rc-ferees for helpful comments on the manuscript.
PY - 1994/9
Y1 - 1994/9
N2 - We present the results of Monte Carlo simulations of chains confined in a very narrow slit, in the limit of strongly attractive walls. Simulations are performed in the canonical ensemble, and the chain increment method of Kumar (Phys. Rev. Lett., 66, 2935, 1991) is applied to obtain the chemical potentials of the polymers in the pore and the bulk. Results are summarized in three groups: conformation of chains inside the pore, chemical potentials of confined polymers and adsorption isotherms. Due to the proximity between the walls and the strong attraction they exert on the polymers, a strong bridging effect is observed. The incremental chemical potential of a chain in the pore becomes independent of chain length for long chains, as seen previously for chains in the bulk. The influence of the pore width on the adsorption behavior is also discussed.
AB - We present the results of Monte Carlo simulations of chains confined in a very narrow slit, in the limit of strongly attractive walls. Simulations are performed in the canonical ensemble, and the chain increment method of Kumar (Phys. Rev. Lett., 66, 2935, 1991) is applied to obtain the chemical potentials of the polymers in the pore and the bulk. Results are summarized in three groups: conformation of chains inside the pore, chemical potentials of confined polymers and adsorption isotherms. Due to the proximity between the walls and the strong attraction they exert on the polymers, a strong bridging effect is observed. The incremental chemical potential of a chain in the pore becomes independent of chain length for long chains, as seen previously for chains in the bulk. The influence of the pore width on the adsorption behavior is also discussed.
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U2 - 10.1016/0009-2509(94)E0110-C
DO - 10.1016/0009-2509(94)E0110-C
M3 - Article
AN - SCOPUS:0028501705
SN - 0009-2509
VL - 49
SP - 2921
EP - 2929
JO - Chemical Engineering Science
JF - Chemical Engineering Science
IS - 17
ER -