Search results for " equilibrium."

Theoretical approach and clinical application of kinetic modelling in dialysis.

1991

Using kinetic modelling for shaping profile dialysis, we present a promising approach to improve the cardiovascular stability of patients during dialysis treatment. In order to obtain an insight into the physiological mechanisms of increased stability, a model considering alterations of electrolytes and water distribution and of acid-base status was developed. This algorithm was used for the evaluation of 114 dialysis sessions, which were performed with highly individualised profiles. Each profile was developed for one patient by trying empirically to prevent episodes of hypotension as well as other clinical problems throughout dialysis. The main advantage of profile dialysis compared to st…

Ocena właściwości sorpcyjnych Hottonia palustris L.

2016

Zbadano w warunkach laboratoryjnych kinetykę i równowagę procesu sorpcji wybranych metali ciężkich: Cu i Zn w roślinie wodnej - okrężnicy bagiennej (Hottonia palustris L.). Wykazano, że stan równowagi w układzie roztwór soli metalu - okrężnica bagienna zostaje osiągnięty po około 60 minutach. W warunkach prowadzenia eksperymentu około 36% jonów miedzi i około 49% jonów cynku sorbowanych jest z roztworów początkowych w pierwszych 10 minutach. Do opisu równowag wykorzystano model izotermy Langmuira. Stwierdzono, że Hottonia palustris L. sorbuje jony metali ciężkich proporcjonalnie do ich zawartości w roztworze, w którym została zanurzona. Na podstawie przeprowadzonych badań można przypuszczać…

Multiphoton Absorption of Myoglobin Nitric-Oxide complex: Relaxation by D-NEMD of a Stationary State

2012

ABSTRACT: The photodissociation and geminate recombination of nitric oxide in myoglobin, under continuous illumination, is modeled computationally. The relaxation of the photon energy into the protein matrix is also considered in a single simulation scheme that mimics a complete experimental setup. The dynamic approach to non-equilibrium molecular dynamics is used, starting from a steady state, to compute its relaxation to equilibrium. Simulations are conducted for the native form of sperm whale myoglobin and for two other mutants, V68W and L29F, illustrating a fair diversity of spatial and temporal geminate recombination processes. Energy flow to the heme and immediate protein environment …

Multiphoton Absorption of Myoglobin-Nitric Oxide Complex: Relaxation by D-NEMD of a Stationary State

2013

Merging Features from Green's Functions and Time Dependent Density Functional Theory: A Route to the Description of Correlated Materials out of Equil…

2016

We propose a description of nonequilibrium systems via a simple protocol that combines exchange-correlation potentials from density functional theory with self-energies of many-body perturbation theory. The approach, aimed to avoid double counting of interactions, is tested against exact results in Hubbard-type systems, with respect to interaction strength, perturbation speed and inhomogeneity, and system dimensionality and size. In many regimes, we find significant improvement over adiabatic time dependent density functional theory or second Born nonequilibrium Green's function approximations. We briefly discuss the reasons for the residual discrepancies, and directions for future work.

Improvement of partition coefficients determination of aroma compounds in food matrices by the phase ratio variation method

2011

The Phase Ratio Variation (PRV) method is a very valuable method commonly used for liquid/vapor partition coefficients data acquisition of aroma compounds. Nevertheless, some limits are linked to this method, especially for volatile compounds. A careful examination of the PRV equation leads us to propose the following expression: 1/Cvap-real =(nliq/n0) x 1/Cvap-ideal = (nliq/n0) x (1/KC0 + (1/Co) b), We performed an examination for two cases of K values (K1=0.001 and K2=0.05), putting forward that a carefully choice of b range values is crucial for reliability of the regression calculation 1/A versus b.

Socially-aware Dynamic Computation Offloading Scheme for Fog Computing System with Energy Harvesting Devices

2018

Fog computing is considered as a promising technology to meet the ever-increasing computation requests from a wide variety of mobile applications. By offloading the computation-intensive requests to the fog node or the central cloud, the performance of the applications, such as energy consumption and delay, are able to be significantly enhanced. Meanwhile, utilizing the recent advances of social network and energy harvesting (EH) techniques, the system performance could be further improved. In this paper, we take the social relationships of the EH mobile devices (MDs) into the design of computational offloading scheme in fog computing. With the objective to minimize the social group executi…

Explicit proton transfer in classical molecular dynamics simulations.

2014

We present Hydrogen Dynamics (HYDYN), a method that allows explicit proton transfer in classical force field molecular dynamics simulations at thermodynamic equilibrium. HYDYN reproduces the characteristic properties of the excess proton in water, from the special pair dance, to the continuous fluctuation between the limiting Eigen and Zundel complexes, and the water reorientation beyond the first solvation layer. Advantages of HYDYN with respect to existing methods are computational efficiency, microscopic reversibility, and easy parameterization for any force field peerReviewed

Vortex temperature in turbulent superfluids

2008

Some remarks on Landau's (macroscopic) phase transition theory

2012

This paper explain the existence of a particular formal model (drew from Theoretical Astrophysics) whose thermodynamical phenomenology shows a possible second order phase transition (according to Landau’s Thermodynamical Theory) that seems does not verify the (Birman-Goldrich-Jaric) ”chain subduction criterion” and the (Ascher’s) ”maximality criterion” of Landau’s Phenomenological Theory. Therefore, it follows that Landau’s Phenomenological Theory is more restrictive than the Landau’s Thermodynamical Theory.