Search
Didn't find any results in this catalog!
But we have some results in other catalogs.Filters
total: 8318
-
Catalog
displaying 1000 best results Help
Search results for: SURFACE FREE ENERGY
-
Free-surface elevation in open vortex flow controls
PublicationRotational form of fluid motion is complex, but very important in science and technology. The paper is devoted to the hydraulic mechanism of flow in open vortex flow controls, or regulators. The velocity field was described by the kinematic model, and intensity of rotation - by means of the energy balance between the input and dissipation. In consequence some algebraic expresions were obtained, which can be useful in approximated...
-
The laws of thermodynamics: entropy, free energy, information and complexity
PublicationW rozdziale przedstawiono podstawowe Zasady Termodynamiki. Omówiono zagadnienia związane z pojęciem entropii, energii Gibbsa, egzergii oraz systemami złożonymi.
-
The quantum free energy barrier for hydrogen vacancy diffusion in Na3AlH6
Publication -
Binding free energy of selected anticancer compounds to DNA - theoreticalcalculations
PublicationPraca dotyczy swobodnej energii wiązania z DNA trzech związków o działaniu przeciwnowotworowym (mitoksantronu i dwóch pochodnych pirymidoakrydyny). Obliczenia wykorzystywały metody Poissona-Boltzmanna (udział elektrostatyczny) i metody SASA (udział nieelektrostatyczny). W wyniku badań zaproponowano struktury kompleksów jakie tworzą badane ligandy z DNA.
-
Computational methods for calculation of binding free energy for ligand-receptor complexes
PublicationAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
-
Surface and interfacial anti-plane waves in micropolar solids with surface energy
PublicationIn this work, the propagation behaviour of a surface wave in a micropolar elastic half-space with surface strain and kinetic energies localized at the surface and the propagation behaviour of an interfacial anti-plane wave between two micropolar elastic half-spaces with interfacial strain and kinetic energies localized at the interface have been studied. The Gurtin–Murdoch model has been adopted for surface and interfacial elasticity....
-
Offshore surface waters of Antarctica are free of microplastics, as revealed by a circum-Antarctic study
PublicationIn 2018, during a circum navigation of Antarctica below 62° S by the sailing boat Katharsis II, the presence of plastics was investigated with surface sampling nets at ten evenly spaced locations (every 36° of longitude). Although fibres that appeared to be plastic (particles up to 2 cm) were found in numbers ranging from 1 particle (0.002 particles per m3) to 171 particles (1.366 particles per m3) per station, a Fourier-transform...
-
Experimental analysis on the risk of vortex ventilation and the free surface ventilation of marine propellers
Publication -
Geometry optimization of steroid sulfatase inhibitors - the influence on the free binding energy with STS
PublicationIn the paper we review the application of two techniques (molecular mechanics and quantum mechanics) to study the influence of geometry optimization of the steroid sulfatase inhibitors on the values of descriptors coded their chemical structure and their free binding energy with the STS protein. We selected 22 STS-inhibitors and compared their structures optimized with MM+, PM7 and DFT B3LYP/6–31++G* approaches considering separately...
-
Anti-plane waves in an elastic thin strip with surface energy
PublicationWe consider anti-plane motions of an elastic plate taking into account surface energy within the linear Gurtin–Murdoch surface elasticity. Two boundary-value problems are considered that describe complete shear dynamics of a plate with free faces or with free and clamped faces, respectively. These problems correspond to anti-plane dynamics of an elastic film perfectly or non-perfectly attached to a rigid substrate. Detailed analysis...