The optimal diffusion experiment

Self-diffusion and collective diffusion of hydrogen in TaH x

Fick diffusion coefficients are calculated by means of molecular simulation for liquid mixtures containing acetone, methanol and chloroform at 1 atm and 298 K for different compositions. For this means, Maxwell-Stefan (MS) diffusion coefficients were calculated using physical properties of the components and thermodynamic factors, Γ, using three different models of Wilson, NRTL and UNIQUAC. Because of the lack of experimental data for Fick diffusivities for ternary system, the validity of the model was tested by comparing Fick diffusivities obtained for binary subsystems with experimental data for acetone- chloroform system. The results were in good agreement. So the Fick coefficients, Maxwell-Stefan diffusion coefficient and the thermodynamic factors were predicted for the ternary mixture as well as its binary subsystems by molecular simulation in a consistent manner. The presented ternary diffusion data should facilitate the development of aggregated predictive models for diffusion coefficients of polar and hydrogen-bonding systems and allows for an efficient and consistent prediction of multicomponent Fick diffusion coefficients from molecular models.

The concentration dependence of the mutual diffusion coefficients in the ternary liquid mixture glycerol + acetone + water is determined at 298.15 K by the Taylor dispersion technique along two concentration paths of constant water mole fractions of 0.468 and 0.420, ranging from the binary subsystem toward the phase boundary in the vicinity of the critical solution point. The eigenvalues of Fick's diffusion coefficient matrix are given, and the influence of the optical properties of the system on the diffusion coefficient determination is discussed. It was found that the determinant |D| continuously declines on approaching the phase boundary.

Photon correlation spectroscopy (PCS) has been used to measure the mutual diffusion coefficient Dm for unliganded hemoglobin in the concentration range 0.86 to 15.7 g/dl. The result corrected to water at 20 °C is Dm=Do[1−(0.0057±.0003)c] where Do= (6.75±0.05) ×10−7 cm2/s and c is in units of g/dl. It is shown that Dm can be used with the phenomenological theory of diffusion to predict the tracer diffusion coefficient Dt and that the predictions agree with the results of diaphragm cell measurements [Keller, et al., J. Phys. Chem., 75, 379 (1971)]. In contrast to this, diaphragm cell measurements of Dm do not agree with PCS measurements, with open capillary and free diffusion experiments [Kitchen, et al., J. Polymer Sci. Sym. No. 55, 39 (1976)], or with ultrafiltration measurements [Probstein, et al., J. Phys. Chem. 83, 1228 (1979)]. The evidence indicates that Dm≠Dt for hemoglobin, and that diaphragm cell measurements of Dm are not reliable for proteins. (AIP)

For the long-term management of high- and intermediate-level radioactive waste and/or spent fuel, many countries prefer disposal in a geological repository. In Belgium, Switzerland and France, argillaceous formations are being explored as potential host formations for this purpose. In this context, knowledge of the diffusion coefficient of He is relevant within two research areas: first, diffusion coefficients are used in safety calculations to evaluate the balance between gas generation (mainly H 2 ) and gas dissipation; and, second, the diffusion coefficients of He and Ar are needed in the diffusion models of natural tracers. Owing to the lack of data on the diffusion coefficients of He and Ar for the different clay host formations, diffusion experiments with dissolved He and Ar were performed on Boom Clay, Opalinus Clay and Callovo-Oxfordian Clay. Samples were confined in a diffusion cell, and diffusion coefficients were measured by using the double through-diffusion technique. The diffusion coefficients ( D p or D pore ) for He in Boom Clay, Callovo-Oxfordian Clay and Opalinus Clay are 12.6×10 −10 , 4.51×10 −10 and 7.13×10 −10 m 2 s −1 , respectively. The diffusion coefficients for Ar in Boom Clay, Callovo-Oxfordian Clay and Opalinus Clay are 18.6×10 −11 , 4.06×10 −11 and 3.65×10 −11 m 2 s −1 , respectively.

Verifying reciprocal relations for experimental diffusion coefficients in multicomponent mixtures

The effect of permeability on supercritical CO2 diffusion coefficient and determination of diffusive tortuosity of porous media under reservoir conditions

Prediction of the diffusion characteristics of the V-Cr system by molecular dynamics based on N-body interatomic potentials

Modeling and experimental study on methane diffusivity in coal mass under in-situ high stress conditions: A better understanding of gas extraction

To date, the commonly used methods for diffusion coefficient measurements have some hurdles that prevent them from being widely applied in pharmaceutical laboratories. This study aimed to modify a method developed by di Cagno et al. based on the use of a UV-Vis spectrometer and apply the method to investigate the effect of dissolution media on the diffusivity of small molecules and proteins. A total of five small molecules and two proteins in different aqueous media and polymer solutions were investigated in this study. By attaching a 3D-printed cover with an open slit to a standard UV-Vis cuvette, the incident UV light could only pass through the open slit to measure the local drug concentration. During the diffusion experiment, drug molecules diffused from the cuvette bottom to the slit. According to the concentration measured as a function of time, diffusion coefficient was calculated based on Fick's law of diffusion using the analytical and numerical approaches. As a result, diffusion coefficients could be accurately measured with high reproducibility. The results also suggested that different media could affect the diffusion coefficients of small molecules by < 10% and proteins by < 15%. Since the UV-Vis spectrometer is a routine instrument, this method can potentially be employed by many pharmaceutical laboratories for diffusion coefficient measurements.

Due to the compactness of shale reservoir matrix and the high conductivity of fractures, the hydrocarbon gas injection huff and puff method or displacement is the most realistic technology to improve shale oil recovery. The diffusion mechanism plays an important role in shale oil development; therefore, it is crucial to figure out the factors influencing diffusion, which could enhance shale oil recovery. In this paper, a physical simulation experiment is designed to evaluate the diffusion ability of hydrocarbon gas. Diffusion experiments are conducted to simulate diffusion in the bulk fluid and in the porous media, to learn about how the pressure, permeability and fracture affect the diffusion behavior. The diffusion coefficients between the bulk diffusion and core sample diffusion are compared. The experimental results show that the diffusion coefficient and mass transfer capacity are positively correlated with permeability and pressure: increasing these parameters can promote the diffusion process. The diffusion coefficient of hydrocarbon gas in a saturated oil core is significantly less than that in crude oil, which indicates that the porous media seriously affects the process of gas diffusion in crude oil. Fractures have little impact on the diffusion behavior. Combined with numerical simulation, the influencing factor of diffusion on the development effect of hydrocarbon gas injection is clarified. The recovery enhances and then decreases with the increasing diffusion coefficient. Cited as: Wanyan, Z., Liu, Y., Li, Z., Zhang, C., Liu, Y., Xue, T. Mechanism and influence factor of hydrocarbon gas diffusion in porous media with shale oil. Advances in Geo-Energy Research, 2023, 7(1): 39-48. https://doi.org/10.46690/ager.2023.01.05

A novel method was developed for studying the diffusion of proteins through poly(d,l-lactide-co-glycolide) (PLG), using a diffusion cell. To develop improved formulations for the controlled release of encapsulated drugs it is important to understand the underlying release mechanisms. When using low-molecular-weight PLG as the release-controlling polymer, diffusion through the pores is often proposed as the main release mechanism. The experimental set-up and method of determining the diffusion coefficient were thoroughly evaluated with regard to the reliability and the influence of the stirring rate. A procedure for spraying thin films of PLG onto a filter, which could be placed in the diffusion cell, was optimized. The method was then applied to the determination of the diffusion coefficient of human growth hormone (hGH) through a PLG film. The results show that the method enables measurements of the diffusion coefficient through the polymer film. Neither the stirring rate nor the concentration of hGH influenced the diffusion coefficient. The diffusion coefficient of hGH through degraded PLG films was 5.0 · 10− 13 m2/s, which is in the range that could be expected, i.e., several orders of magnitude smaller than its the diffusivity in pure water. The reproducibility was good, considering the dynamic properties of PLG, i.e., the difference in diffusion coefficients, at, for example, different stages of degradation and for different compositions of PLG, is expected to be much higher. The variation is probably also present in PLG films used for controlled-release formulations. Although the PLG film contains a large amount of water, a considerable time elapsed before pores of sufficient size formed and diffusion through the film started. In two-component diffusion experiments, the difference in diffusion rate did not correspond to the difference in molecular weight of the solutes, indicating a size exclusion effect. This method can be used to study the effect of changes in the formulation specification. By studying the change in the diffusion coefficient through the degradation process of PLG, or similar polymers, a better understanding of diffusion and, thus, also release mechanisms can be obtained.

Composites of wood in a thermoplastic matrix (wood–plastic composites) are considered a low maintenance solution to using wood in outdoor applications. Knowledge of moisture uptake and transport properties would be useful in estimating moisture‐related effects such as fungal attack and loss of mechanical strength. Our objectives were to determine how material parameters and their interactions affect the moisture uptake and transport properties of injection‐molded composites of wood‐flour and polypropylene and to compare two different methods of measuring moisture uptake and transport. A two‐level, full‐factorial design was used to investigate the effects and interactions of wood‐flour content, wood‐flour particle size, coupling agent, and surface removal on moisture uptake and transport of the composites. Sorption and diffusion experiments were performed at 20°C and 65 or 85% relative humidity as well as in water, and diffusion coefficients were determined. The wood‐flour content had the largest influence of all parameters on moisture uptake and transport properties. Many significant interactions between the variables were also found. The interaction between wood‐flour content and surface treatment was often the largest. The diffusion coefficients derived from the diffusion experiments were different from those derived from the sorption experiments, suggesting that different mechanisms occur. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 103: 752–763, 2007

Diffusion experiments with compacted powder/pellets clay mixtures

Measuring the effective diffusion coefficient of dissolved hydrogen in saturated Boom Clay