88 citations · 110 across the 5 of their papers we have counts for
4 papers
Molecular Dynamics Simulations of NMR Relaxation and Diffusion of Bulk Hydrocarbons and Water
P. M. Singer, D. Asthagiri, W. G. Chapman +1
Molecular dynamics (MD) simulations are used to investigate H nuclear magnetic resonance (NMR) relaxation and diffusion of bulk -CH to -CH hydroc…
Stabilized density gradient theory algorithm for modeling interfacial properties of pure and mixed systems
Xiaoqun Mu, Florian Frank, Faruk O. Alpak +1
Density gradient theory (DGT) allows fast and accurate determination of surface tension and density profile through a phase interface. Several algorithms have been developed to app…
Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids with small bond angles: Effects of steric hindrance and ring formation
B. D. Marshall, Amin Haghmoradi, W. G. Chapman
In this paper we develop a thermodynamic perturbation theory for two site associating fluids which exhibit bond cooperativity. We include both steric hindrance and ring formation s…
Thermodynamic perturbation theory for self-assembling mixtures of divalent single patch colloids
B. D. Marshall, W. G. Chapman
In this work we extend Wertheim's thermodynamic perturbation theory (TPT) to binary mixtures (species A and species B) of patchy colloids where each species has a single patch whic…