61
Views
20
CrossRef citations to date
0
Altmetric
Original Articles

Density Functional Theory of Square-well Chain Mixtures Near Solid Surface

Pages 143-147 | Received 01 Oct 2002, Accepted 01 Jan 2003, Published online: 17 May 2006

References

  • Chandler , D , McCoy , JD and Singer , SJ . 1986 . Density functional theory of nonuniform polyatomic systems. I. General formulation . J. Chem. Phys. , 85 : 5971
  • Chandler , D , McCoy , JD and Singer , SJ . 1986 . Density functional theory of nonuniform polyatomic systems. II. Rational closures for integral equations . J. Chem. Phys. , 85 : 5977
  • Ladanyi , BM and Chandler , D . 1975 . New type of cluster theory for molecular fluids: interaction site cluster expansion . J. Chem. Phys. , 62 : 4308
  • Nath , SK , Nealey , PF and de Pablo , JJ . 1999 . Density functional theory of molecular structure for thin diblock copolymer films on chemically heterogeneous surfaces . J. Chem. Phys. , 110 : 7483
  • Woodward , CE . 1991 . A density functional theory for polymers: application to hard-chain-hard sphere mixtures in slitlike pores . J. Chem. Phys. , 94 : 3183
  • Yethraj , A and Woodward , CE . 1995 . Monte Carlo density functional theory of nonuniform polymer melts . J. Chem. Phys. , 102 : 5499
  • Yethraj , A . 1998 . Density functional theory of polymers: a Curtin–Ashcroft type weighted density approximation . J. Chem. Phys. , 109 : 3269
  • Hooper , JB , McCoy , JD and Curro , JG . 2000 . Density functional theory of simple polymers in a slit pore. I. Theory and efficient algorithm . J. Chem. Phys. , 112 : 3090
  • Hooper , JB , Pileggi , MT , McCoy , JD , Curro , JG and Weinhold , JD . 2000 . Density functional theory of simple polymers in a slit pore. II. The role of compressibility and field type . J. Chem. Phys. , 112 : 3094
  • Kierlik , E and Rosinberg , ML . 1992 . A perturbation density-functional theory for polyatomic fluids: I. Rigid molecules . J. Chem. Phys. , 97 : 9222
  • Kierlik , E and Rosinberg , ML . 1993 . A perturbation density-functional theory for polyatomic fluids: II. Flexibale molecules . J. Chem. Phys. , 99 : 3950
  • Kierlik , E and Rosinberg , ML . 1994 . Perturbation density functional theory for polyatomic fluids. III. Application to hard chain molecules in slitlike pores . J. Chem. Phys. , 100 : 1716
  • Cai , J , Liu , HL and Hu , Y . 2000 . Functional theory for nonuniform systems containing chain-like molecules . J. ECUST (In Chinese) , 26 : 100
  • Patra , CN and Yethiraj , A . 2000 . Generalized van der Waals density functional theory for nonuniform polymers . J. Chem. Phys. , 112 : 1579
  • McMullen , WE and Freed , KF . 1990 . A density functional theory of polymer phase transitions and interfaces . J. Chem. Phys. , 92 : 1413
  • Zhou , SQ and Zhang , XQ . 2001 . Microscopic approach for the site distribution and thermodynamic properties of a single-component polymer subjected to an external field . Phys. Rev. E , 64 : 011112
  • Choudhury , N and Ghosh , SK . 1999 . A perturbative density functional theory of inhomogeneous fluid mixture . J. Chem. Phys. , 110 : 8628
  • Denton , AR and Ashcroft , NW . 1990 . Weighted-density-functional theory of nonuniform fluid mixtures: application to freezing of binary hard-sphere mixtures . Phys. Rev. , A42 : 7312
  • Patra , CN . 1999 . Structure of binary hard sphere mixtures near a hard wall: a simple weighted-density-functional approach . J. Chem. Phys. , 111 : 6573
  • Cai , J , Liu , HL and Hu , Y . 2002 . Density functional theory and Monte Carlo simulation of mixtures of hard sphere chains confined in a slit . Fluid Phase Equilibria , 194–197 : 281
  • Dickman , R and Hall , CK . 1988 . High density Monte Carlo simulations of chains molecules: bulk equation of state and density profile near walls . J. Chem. Phys. , 89 : 3168
  • Hu , Y , Liu , HL and Prausnitz , JM . 1996 . Equation of state for fluids containing chainlike molecules . J. Chem. Phys. , 104 : 396
  • Liu , HL and Hu , Y . 1997 . Molecular thermodynamic theory for polymer systems III. Equation of state for chain fluid mixtures . Fluid Phase Equilibria , 138 : 69

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.