2006 article

Mesoscale modeling of complex binary fluid mixtures: Towards an atomistic foundation of effective potentials

Silbermann, J. R., Klapp, S. H. L., Schoen, M., Chennamsetty, N., Bock, H., & Gubbins, K. E. (2006, February 15). The Journal of Chemical Physics, Vol. 124.

By: J. Silbermann*, S. Klapp*, M. Schoen*, N. Chennamsetty n, H. Bock n & K. Gubbins n

topics (OpenAlex): Material Dynamics and Properties; Protein Structure and Dynamics
TL;DR: This paper investigates ways to extract from equilibrium molecular-dynamics simulations of a fully atomistic model of binary mixtures of water and ethanol effective, pairwise additive potentials suitable to describe the interactions between coarse-grained molecules in corresponding mesoscale dissipative particle-dynamic simulations. (via Semantic Scholar)
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UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2005 article

Coarse-grained potentials from Widom's particle insertion method

Chennamsetty, N., Bock, H., & Gubbins, K. (2005, October 6). Molecular Physics, Vol. 103, pp. 3185–3193.

By: N. Chennamsetty*, H. Bock* & K. Gubbins*

topics (OpenAlex): Spectroscopy and Quantum Chemical Studies; Force Microscopy Techniques and Applications; Material Dynamics and Properties
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UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
16. Peace, Justice and Strong Institutions (OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2005 article

Cosurfactant and cosolvent effects on surfactant self-assembly in supercritical carbon dioxide

Chennamsetty, N., Bock, H., Scanu, L. F., Siperstein, F. R., & Gubbins, K. E. (2005, February 26). The Journal of Chemical Physics, Vol. 122.

By: N. Chennamsetty n, H. Bock n, L. Scanu n, F. Siperstein n & K. Gubbins n

topics (OpenAlex): Phase Equilibria and Thermodynamics; Enhanced Oil Recovery Techniques; Surfactants and Colloidal Systems
TL;DR: The impact of alcohol additives on the self-assembly of surfactants in supercritical carbon dioxide is investigated using lattice Monte Carlo simulations, observing that all studied (model) alcohols reduce the critical micelle concentration and short-chain alcohols act as cosurfactants, directly influencing the properties of the aggregates. (via Semantic Scholar)
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

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