2007 journal article

Anisotropic self-diffusion in nanofluidic structures

JOURNAL OF PHYSICAL CHEMISTRY C, 111(43), 15493–15504.

By: H. Bock*, K. Gubbins n & M. Schoen*

UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2007 journal article

Coarse graining of nonbonded degrees of freedom

PHYSICAL REVIEW LETTERS, 98(26).

By: H. Bock n, K. Gubbins n & S. Klapp*

MeSH headings : Algorithms; Chemistry, Physical / methods; Computer Simulation; Fourier Analysis; Models, Biological; Models, Chemical; Models, Molecular; Models, Statistical; Molecular Conformation; Solvents / chemistry; Thermodynamics
TL;DR: There are no conservative forces between coarse-grained beads representing assemblies of nonbonded molecules nor between these beads and any other species in the system. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2007 journal article

Crossover from normal to inverse temperature dependence in the adsorption of nonionic surfactants at hydrophilic surfaces and pore walls

JOURNAL OF PHYSICAL CHEMISTRY C, 111(43), 16045–16054.

By: O. Dietsch n, A. Eltekov n, H. Bock n, K. Gubbins n & G. Findenegg n

Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2005 journal article

Coarse-grained potentials from Widom's particle insertion method

MOLECULAR PHYSICS, 103(21-23), 3185–3193.

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

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 journal article

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

JOURNAL OF CHEMICAL PHYSICS, 122(9).

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

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)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2005 journal article

Solid/solid phase transitions in confined thin films: A zero temperature approach

JOURNAL OF CHEMICAL PHYSICS, 122(9).

By: H. Bock n, K. Gubbins n & K. Ayappa*

TL;DR: It is found that the two-dimensional order parameters Psi(4) (square symmetry) and PSI(6) (triangular symmetry) show unphysical behavior in the transition region between square and triangular symmetry, and in the present model they fail to predict the right location of the phase transitions. (via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

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