Search results for "Fick's laws of diffusion"
showing 10 items of 29 documents
Solubility and diffusion of nitrogen in maltodextrin/protein tablets.
2002
The gas transport properties of compacted tablets consisting of an amorphous mixture of maltodextrin and sodium caseinate were studied by dissolving nitrogen gas in the tablets and then determining the gas release over time as a function of temperature and water activity. Gas was dissolved in the tablet matrix by heating the tablets under pressure, generally to temperatures above the glass transition temperature of the matrix, holding them at these conditions for a specified time and then rapidly cooling them while maintaining the external pressure. The solubility of nitrogen was found to be largely determined by the free volume of the matrix, which in turn can be influenced to some degree …
Effective diffusion coefficient and diffusion-controlled reactions in insulating solids with defects
1995
Abstract The expressions for effective diffusion coefficient are obtained in the mean field approximation for two-phase system for spatial dimensions of 1, 2 and 3. The existence of potential barrier for diffusion on the phase boundary was taken into account via the boundary conditions. Obtained formulae could be applied in the theory of diffusion-controlled reactions and for interpreting the experimental data on defect diffusion in two-phase media.
Oxygen Diffusion Constants D and K of Tumor Tissue (DS-Carcinosarcoma) and Their Temperature Dependence
1978
To understand more thoroughly the tumor O2 supply conditions, knowledge of O2 diffusivity in tumor tissue is required. Since exact measurements of the O2 diffusion constants of tumor tissue have not been carried out to date, previous investigations of tumor O2 supply had to employ estimated values (6 – 8, 10). The results of these studies are in part contradictory.
The relaxation dynamics of a viscous silica melt: II The intermediate scattering functions
2001
We use molecular dynamics computer simulations to study the relaxation dynamics of a viscous melt of silica. The coherent and incoherent intermediate scattering functions, F_d(q,t) and F_s(q,t), show a crossover from a nearly exponential decay at high temperatures to a two-step relaxation at low temperatures. Close to the critical temperature of mode-coupling theory (MCT) the correlators obey in the alpha-regime the time temperature superposition principle (TTSP) and show a weak stretching. We determine the wave-vector dependence of the stretching parameter and find that for F_d(q,t) it shows oscillations which are in phase with the static structure factor. The temperature dependence of the…
Static and dynamic properties of a viscous silica melt
1999
We present the results of a large scale molecular dynamics computer simulation in which we investigated the static and dynamic properties of a silica melt in the temperature range in which the viscosity of the system changes from ${O(10}^{\ensuremath{-}2})$ P to ${O(10}^{2})$ P. We show that even at temperatures as high as 4000 K the structure of this system is very similar to the random tetrahedral network found in silica at lower temperatures. The temperature dependence of the concentration of the defects in this network shows an Arrhenius law. From the partial structure factors we calculate the neutron scattering function and find that it agrees very well with experimental neutron scatte…
Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture II: Intermediate Scattering Function and Dynamic Susceptibility
1995
We have performed a molecular dynamics computer simulation of a supercooled binary Lennard-Jones system in order to compare the dynamical behavior of this system with the predictions of the idealized version of mode-coupling theory (MCT). By scaling the time $t$ by the temperature dependent $\alpha$-relaxation time $\tau(T)$, we find that in the $\alpha$-relaxation regime $F(q,t)$ and $F_s(q,t)$, the coherent and incoherent intermediate scattering functions, for different temperatures each follows a $q$-dependent master curve as a function of scaled time. We show that during the early part of the $\alpha$-relaxation, which is equivalent to the late part of the $\beta$-relaxation, these mast…
Dynamics of the rotational degrees of freedom in a supercooled liquid of diatomic molecules
1997
Using molecular dynamics computer simulations, we investigate the dynamics of the rotational degrees of freedom in a supercooled system composed of rigid, diatomic molecules. The interaction between the molecules is given by the sum of interaction-site potentials of the Lennard-Jones type. In agreement with mode-coupling theory (MCT), we find that the relaxation times of the orientational time correlation functions C_1^(s), C_2^(s) and C_1 show at low temperatures a power-law with the same critical temperature T_c, and which is also identical to the critical temperature for the translational degrees of freedom. In contrast to MCT we find, however, that for these correlators the time-tempera…
Microscopic theory for the glass transition in a system without static correlations
2002
We study the orientational dynamics of infinitely thin hard rods of length L, with the centers-of-mass fixed on a simple cubic lattice with lattice constant a.We approximate the influence of the surrounding rods onto dynamics of a pair of rods by introducing an effective rotational diffusion constant D(l),l=L/a. We get D(l) ~ [1-v(l)], where v(l) is given through an integral of a time-dependent torque-torque correlator of an isolated pair of rods. A glass transition occurs at l_c, if v(l_c)=1. We present a variational and a numerically exact evaluation of v(l).Close to l_c the diffusion constant decreases as D(l) ~ (l_c-l)^\gamma, with \gamma=1. Our approach predicts a glass transition in t…
Multiscale Computer Simulations in Physics, Chemistry, and Biology: The Example Of Silica
2002
We show to what extent molecular dynamics simulations (MD) can explore struc-tural and dynamic properties of atomic systems whereby the system under consideration is amorphous silica (SiO2). Two studies are presented: (i) a large scale simulation of the dynam-ics of a SiO2 melt and (ii) the investigation of free silica surfaces where a mixture of a classical MD and a Car-Parrinello molecular dynamics is used.
Dynamics of Polymer Chains Confined in Slit-Like Pores
1996
Monte Carlo simulations of an off-lattice bead spring model of polymer chains are presented, confining the chains between two repulsive parallel planes a distance D apart. Varying the chain length N from N = 16 to N = 128, we show that under good solvent conditions the chains behave like two-dimensional self-avoiding walks, their mean square gyration radius scales as (R g 2 ) N 2v with v = 3/4. The density profile across the slit is independent of N and maximal in the center of the slit. The dynamical properties of the chains are found to be in full agreement with the Rouse model with excluded volume in d = 2 dimensions, the relaxation times vary like τ N Z with z = 2v +1 = 5/2, the diffusi…