Chemical and Biomolecular Engineering

College of Engineering

Works Published in 1996

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Displaying works 41 - 60 of 88 in total

Sorted by most recent date added to the index first, which may not be the same as publication date order.

1996 journal article

Phase Equilibria Calculations with a Modified SAFT Equation of State. 1. Pure Alkanes, Alkanols, and Water

Industrial & Engineering Chemistry Research, 35(12), 4727–4737.

Sources: Crossref, ORCID
Added: April 21, 2019

1996 journal article

Molecular Simulations of Phase Transitions in Pores

Molecular Simulation, 17(4-6), 333–367.

author keywords: phase transitions; pores; capillary condensation; layering transitions; melting; freezing; liquid-liquid equilibria
Sources: Crossref, ORCID
Added: April 21, 2019

1996 journal article

Thermodynamic scaling Gibbs ensemble Monte Carlo: a new method for determination of phase coexistence properties of fluids

Molecular Physics, 89(4), 965–974.

Sources: Crossref, ORCID
Added: April 21, 2019

1996 journal article

Molecular Simulation of Fluid Phase Equilibria and Adsorption

Revue De l'Institut Français Du Pétrole, 51(1), 59–72.

By: K. Gubbins*

Sources: Crossref, ORCID
Added: April 21, 2019

1996 journal article

Separation of carbon dioxide–methane mixtures by adsorption: Effects of geometry and energetics on selectivity

The Journal of Chemical Physics, 104(20), 8126–8134.

Sources: Crossref, ORCID
Added: April 21, 2019

1996 journal article

Theoretical Studies on VPI-5. 2. Energy Decomposition Analysis of the Hydrophilicity

The Journal of Physical Chemistry, 100(30), 12424–12430.

Sources: Crossref, ORCID
Added: April 21, 2019

1996 journal article

Molecular dynamics simulation of hydrogen bonding in monoethanolamine

Fluid Phase Equilibria, 116(1-2), 320–325.

By: J. Button*, K. Gubbins*, H. Tanaka* & K. Nakanishi*

Sources: Crossref, ORCID
Added: April 21, 2019

1996 journal article

Adsorption of Water on Activated Carbons:  A Molecular Simulation Study

The Journal of Physical Chemistry, 100(4), 1189–1196.

By: E. Müller*, L. Rull*, L. Vega* & K. Gubbins*

Sources: Crossref, ORCID
Added: April 21, 2019

1996 journal article

Molecular simulation of binary mixture adsorption in buckytubes and MCM-41

Adsorption, 2(1), 23–32.

By: M. Maddox*, S. Sowers* & K. Gubbins*

author keywords: GCMC; DFT; adsorption; MCM-41; buckytube; simulation
Sources: Crossref, ORCID
Added: April 21, 2019

1996 journal article

The Effects of Salts on the Lower Consolute Boundary of a Nonionic Micellar Solution

Journal of Colloid and Interface Science, 184(2), 456–468.

By: P. Kenkare n, C. Hall n & P. Kilpatrick n

author keywords: micelles; phase separation; salting-in; salting-out; intermicellar potential; cloud point temperature; lower consolute boundary
Sources: Crossref, ORCID
Added: April 20, 2019

1996 journal article

Modeling of phase separation in PEG–salt aqueous two-phase systems

AIChE Journal, 42(12), 3508–3522.

By: P. Kenkare n & C. Hall n

Sources: Crossref, ORCID
Added: April 20, 2019

1996 journal article

First-Order Disorder-to-Order Transition in an Isolated Homopolymer Model

Physical Review Letters, 77(13), 2822–2825.

By: Y. Zhou*, C. Hall n & M. Karplus*

Sources: Crossref, ORCID
Added: April 20, 2019

1996 journal article

Equilibrium conformations and dynamic relaxation of double‐tethered chain molecules at an impenetrable interface

The Journal of Chemical Physics, 105(17), 7712–7722.

By: H. Gulati n, C. Hall n, R. Jones n & R. Spontak n

Sources: Crossref, ORCID
Added: April 20, 2019

1996 journal article

Binary hard chain mixtures. I. Generalized Flory equations of state

The Journal of Chemical Physics, 105(17), 7669–7682.

By: J. Wichert n, H. Gulati n & C. Hall n

Sources: Crossref, ORCID
Added: April 20, 2019

1996 journal article

Estimation of mutual diffusion coefficients in polymer/penetrant systems using nonequilibrium molecular dynamics simulations

The Journal of Chemical Physics, 105(4), 1621–1632.

By: S. Sunderrajan n, C. Hall n & B. Freeman n

Sources: Crossref, ORCID
Added: April 20, 2019

1996 journal article

Corrections for analytical gas-permeation models for separation of binary gas mixtures using membrane modules

Journal of Membrane Science, 118(2), 289–294.

By: S. Smith n, C. Hall n, B. Freeman n & R. Rautenbach*

author keywords: fiber membranes; gas separation; membrane modeling
Sources: Crossref, ORCID
Added: April 20, 2019

1996 journal article

Computer simulation study of the approximations associated with the generalized Flory theories

The Journal of Chemical Physics, 104(22), 9100–9110.

By: S. Kumar*, I. Szleifer*, C. Hall n & J. Wichert n

Sources: Crossref, ORCID
Added: April 13, 2019

1996 journal article

Generalized Flory equations of state for hard heteronuclear chain molecules

The Journal of Chemical Physics, 104(13), 5220–5233.

By: H. Gulati n, J. Wichert n & C. Hall n

Sources: Crossref, ORCID
Added: April 13, 2019

1996 journal article

Molecular dynamics study of entangled hard‐chain fluids

The Journal of Chemical Physics, 104(14), 5616–5637.

By: S. Smith n, C. Hall n & B. Freeman n

Sources: Crossref, ORCID
Added: April 13, 2019

1996 journal article

Propene Oxidation Chemistry in Laminar Premixed Flames

Bulletin Des Sociétés Chimiques Belges, 105(9), 501–512.

By: S. Thomas, A. Bhargava, P. Westmoreland, R. Lindstedt & G. Skevis

Source: NC State University Libraries
Added: April 13, 2019