36 citations · 276 across the 22 of their papers we have counts for
8 papers · 1 filter
Classical density functional theory for associating fluids in orienting external fields
B. D. Marshall, W. G. Chapman, M. M. Telo da Gama
We develop a classical density functional theory (DFT) for two site associating fluids in spatially uniform external fields which exhibit orientational inhomogeneities. The Helmhol…
Thermodynamic perturbation theory for self assembling mixtures of multi - patch colloids and colloids with spherically symmetric attractions
B. D. Marshall, W. G. Chapman
In this paper we extend our previous theory [B. D. Marshall and W.G. Chapman, J. Chem. Phys. 139, 104904 (2013)] for mixtures of single patch colloids (p colloids) and colloids wit…
Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids
B. D. Marshall, W. G. Chapman
We develop a resummed thermodynamic perturbation theory for bond cooperativity in associating fluids by extension of Wertheim's multi - density formalism. We specifically consider…
A Monte Carlo density functional theory for the competition between inter and intramolecular association in inhomogeneous fluids
B. D. Marshall, A. J. Garcia-Cuellar, W. G. Chapman
A monte carlo density functional theory is developed for chain molecules which both intra and intermolecularly associate. The approach can be applied over a range of chain lengths.…
A perturbation density functional theory for the competition between inter and intramolecular association
B. D. Marshall, A. J. Garcia-Cuellar, W. G. Chapman
Using the framework of Wertheim's thermodynamic perturbation theory we develop the first density functional theory which accounts for intramolecular association in chain molecules.…
Thermodynamic perturbation theory for associating fluids with small bond angles: Effects of steric hindrance, ring formation and double bonding
B. D. Marshall, W. G. Chapman
We develop the first comprehensive approach to model associating fluids with small bond angles using Wertheim's perturbation theory. We show theoretically and through monte carlo s…