Rheological Determination of Interaction Potential Energy for Aqueous Clay Suspensions

Langmuir ◽  
2003 ◽  
Vol 19 (19) ◽  
pp. 8109-8114 ◽  
Author(s):  
Christophe Baravian ◽  
Delphine Vantelon ◽  
Fabien Thomas
Keyword(s):  
Potential Energy ◽  
Interaction Potential ◽  
Interaction Potential Energy ◽  
Clay Suspensions

Theoretical study on molecular packing and electronic structure of bi-1,3,4-oxadiazole derivatives

RSC Advances ◽  
2014 ◽  
Vol 4 (94) ◽  
pp. 51942-51949 ◽  
Author(s):  
Haitao Wang ◽  
Fu-Quan Bai ◽  
Xiaoshi Jia ◽  
Di Cao ◽  
Ravva Mahesh Kumar ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Potential Energy ◽  
Interaction Potential ◽  
Energy Surface ◽  
Theoretical Study ◽  
Crystal Packing ◽  
Energy Minimum ◽  
Intermolecular Interaction Potential ◽  
Oxadiazole Derivatives ◽  
Interaction Potential Energy

One of the energy-minimum structures predicted by the intermolecular interaction potential energy surface computed using the M062x/6-31G** method closely resembled the crystal packing.

scholarly journals The effect of dissipation on the torque and force experienced by nanoparticles in an AC field

2014 ◽  
Vol 29 (01) ◽  
pp. 1450240
Author(s):  
F. Claro ◽  
R. Fuchs ◽  
P. Robles ◽  
R. Rojas
Keyword(s):  
Potential Energy ◽  
Electric Field ◽  
Interaction Potential ◽  
Interparticle Distance ◽  
Spherical Particles ◽  
Particle Rotation ◽  
The Past ◽  
Ac Electric Field ◽  
Ac Field ◽  
Interaction Potential Energy

We discuss the force and torque acting on spherical particles in an ensemble in the presence of a uniform AC electric field. We show that for a torque causing particle rotation to appear the particle must be absorptive. Our proof includes all electromagnetic excitations, which in the case of two or more particles gives rise to one or more resonances in the spectrum of force and torque depending on interparticle distance. Several peaks are found in the force and torque between two spheres at small interparticle distances, which coalesce to just one as the separation grows beyond three particle radii. We also show that in the presence of dissipation the force on each particle is nonconservative and may not be derived from the classical interaction potential energy as has been done in the past.

scholarly journals Properties of 2:2 Chalcogenide Crystals with Sodium Chloride Structure

1977 ◽  
Vol 30 (3) ◽  
pp. 325 ◽  
Author(s):  
KP Thakur
Keyword(s):  
Sodium Chloride ◽  
Potential Energy ◽  
Interaction Potential ◽  
Energy Function ◽  
Potential Energy Function ◽  
Absorption Frequency ◽  
Method Of Calculation ◽  
Logarithmic Interaction ◽  
Interaction Potential Energy ◽  
Potential Parameters

Values of the compressibility, cohesive energy, atomization energy, force constant, i.r. absorption frequency, Debye temperature, Griineisen parameter, Anderson-Griineisen parameter and MoelwynHughes parameter for 45 chalcogenide crystals with sodium chloride structure are reported here. These have been obtained using a logarithmic interaction potential energy function. A new method of calculation, derived on the basis of the Moelwyn-Hughes parameter, has been employed for the computation of the potential parameters, since previous methods cannot be applied to these crystals in the absence of compressibility data. The results obtained are encouraging.

Stability of molecular aggregates of hydrocarbons with all-trans chains and translation of the molecules

1985 ◽  
Vol 50 (7) ◽  
pp. 1553-1564 ◽  
Author(s):  
Ján Gajdoš ◽  
Tomáš Bleha
Keyword(s):  
Potential Energy ◽  
Interaction Potential ◽  
Conformational Transition ◽  
Molecular Aggregates ◽  
Hydrocarbon Chains ◽  
Central Molecule ◽  
The Matrix ◽  
Rotational Phase

Potential energy has been calculated for molecular aggregates formed of all-trans extended hexanes with various arrangements of the central molecule surrounded by the first coordination sphere. Differences in stabilities of the aggregates are connected with biaxial character of asymmetry of the interaction energy of extended paraffins. When investigating the multiparameter interaction potential of the partially ordered systems of hydrocarbon chains, the first step consisted in determination of the energy barriers to longitudinal shifts of the central molecules at various distances of the surrounding molecules. Destabilization of the aggregates with displaced molecules is due to both the mismatch of the central molecule to the matrix and effective shortening of that part of the central molecule which is "immersed" in the aggregate. The energetics of the model aggregates is made use of in elucidating the role of translation of paraffins and cognate molecules in rotational phase, in mesophases, and at a forced shortening of the chains connected with conformational transition.

Sign in / Sign up

Export Citation Format

Share Document