Thermodynamic DFT analysis of natural gas

AFG Neto, MN Huda, FC Marques, RS Borges… - Journal of molecular …, 2017 - Springer
Density functional theory was performed for thermodynamic predictions on natural gas,
whose B3LYP/6–311++ G (d, p), B3LYP/6–31+ G (d), CBS-QB3, G3, and G4 methods were …

Order–Disorder Transition in Nanostructures via Non-Differentiability

IC Botez, M Agop - Journal of Computational and Theoretical …, 2015 - ingentaconnect.com
In this paper we focus on chaos as a science of process rather than state. We study the
complicated dynamic transitions that lead to the final outcome in nanostructures. Since the …

Removal of Organic Pollutants Benzene and Phenol Using Nanofiltration: A Molecular Dynamics Study

IG Medeiros, JN Cruz, MS Oliveira… - … of Nanoscience and …, 2019 - ingentaconnect.com
Population growth has resulted in an increased demand for clean water. It is known that
chemical pollutants such as phenol and benzene often make water unfit for consumption …

Bingham Type Behaviours in Complex Fluids Stopper Type Effect

RF Popa, V Nedeff, G Lazar, D Scurtu… - Journal of …, 2015 - ingentaconnect.com
Using the Non-Standard Scale Relativity Theory approach, some specific parameters that
describe the flows of Bingham type rheological fluids through a circular pipe, under the …

Particularities of Nanoparticle Reflection from a Barrier

MA Ratner, AV Tur, VV Yanovsky - Journal of Computational …, 2015 - ingentaconnect.com
This work is devoted to molecular dynamics modelling of collision of nanoparticle having a
small number of degrees of freedom with a structureless plain. The new regularities are …

Theoretical Approach of Differentiable–Non-Differentiable Scale Transition in Nanostructures

M Agop, I Casian-Botez - Journal of Computational and …, 2015 - ingentaconnect.com
Nonlinear behavior and self-structuring are inherently present in traditionally studies of
nanostructures. Here we focus on the process leading to the final self-structured state. We …

Non-linear effects at differentiable-non-differentiable scale transition in complex fluids

LG Solovăstru, V Ghizdovă, V Nedeff… - Journal of …, 2016 - ingentaconnect.com
Various theoretical aspects of complex fluid dynamics at the differentiable-non-differentiable
scale transition using the Non-Standard Scale Relativity Theory are analyzed. In the …