Search results for "Molecular diffusion"
showing 10 items of 14 documents
Chemical evolution of dissolved inorganic carbon species flowing in thin water films and its implications for (rapid) degassing of CO2 during speleot…
2013
Abstract Rapid degassing of CO2 from a thin film of drip water on the surface of stalagmites is often considered to have a large effect on both speleothem growth and stable isotope values and is offered as an explanation for higher δ13C and δ18O values than expected under conditions of stable isotope equilibrium. However, the time constant for degassing of CO2 from the solution only depends on film thickness and the coefficient of molecular diffusion for CO2. Thus, for thin films, the time for degassing of CO2 is much shorter than the time for subsequent equilibration of the dissolved carbon species and precipitation of CaCO3. In this context, degassing of CO2 is always fast. Here we presen…
Optical saturation, diffusion and convection effects in thermal lens spectrometry
1995
Abstract In thermal lens spectrometry (TLS) the intense pump radiation can lead the chromophore to partial optical saturation conditions in which the ground state is depleted and the population of an intermediate excited state increases. A model in which the excitation process competes with both the decay processes and diffusion and convection of the species in the excited and ground states is developed. The model is used to explain the variations of the TLS/spectrophotometry sensitivity ratios found for a series of phthalein and azo dyes in aqueous media.
HEXIM1 Diffusion in the Nucleus Is Regulated by Its Interactions with Both 7SK and P-TEFb
2019
International audience; How nuclear proteins diffuse and find their targets remains a key question in the transcription field. Dynamic proteins in the nucleus are classically subdiffusive and undergo anomalous diffusion, yet the underlying physical mechanisms are still debated. In this study, we explore the contribution of interactions to the generation of anomalous diffusion by the means of fluorescence spectroscopy and simulation. Using interaction-deficient mutants, our study indicates that HEXIM1 interactions with both 7SK RNA and positive transcription elongation factor b are critical for HEXIM1 subdiffusion and thus provides evidence of the effects of protein-RNA interaction on molecu…
Natural micro-scale heterogeneity induced solute and nanoparticle retardation in fractured crystalline rock.
2011
Abstract We studied tracer (Tritiated Water (HTO); Tritium replaces one of the stable hydrogen atoms in the H 2 O molecule) and nanoparticle (quantum dots (QD)) transport by means of column migration experiments and comparison to 3D CFD modeling. Concerning the modeling approach, a natural single fracture was scanned using micro computed tomography (μCT) serving as direct input for the model generation. The 3D simulation does not incorporate any chemical processes besides the molecular diffusion coefficient solely reflecting the impact of fracture heterogeneity on mass (solute and nanoparticles) transport. Complex fluid velocity distributions (flow channeling and flowpath heterogeneity) evo…
Surface-induced order and diffusion in 5CB liquid crystal confined to porous glass.
2001
Liquid crystals confined into small cavities are known to have a weak orientational order even above the nematic-isotropic transition temperature. The surface-induced order and molecular dynamics in this temperature range are studied with the aid of deuteron NMR spectra, spin relaxation times T(1) and T(2,) proton dipolar-correlation effect, and direct measurements of the effective diffusion coefficient for the liquid crystal 5CB confined to controlled-pore glasses. Our results show that an arrangement of molecules parallel to the wall is induced by local molecular interactions between the liquid crystal and solid, resulting in a weak and temperature independent surface order parameter, S(0…
Controlling the molecular diffusion in MOFs with the acidity of monocarboxylate modulators.
2021
The catalytic performance of metal-organic frameworks (MOFs) is related to their physicochemical properties, such as particle size, defect-chemistry and porosity, which synthetic control can be potentially achieved by coordination modulation. By combining PXRD, 1HNMR, FT-IR, N2 uptake measurements we have found insights that the different types of defects (missing linker or missing clusters consequence of the spatial distribution of missing linkers, and the combination of both) could be controlled by the type of modulator employed. We show that the molar percent of defects, either as missing linkers or as part of missing cluster defects, is related to the modulator’s acidity and subse…
Nano-demixing as a novel strategy for magnetic field responsive systems: the case of dibutyl phosphate/bis(2-ethylhexyl)amine systems
2016
Pure surfactant liquids and their binary mixtures, owing to the amphiphilic nature of the molecules involved, can exhibit nano-segregation and peculiar transport properties. The possibility of opportunely choosing the amphiphiles should lead to the formation of anisotropic aggregates that can be oriented by an external factor like a magnetic field. In this case some properties, like optical birefringence, can be induced by the use of a magnetic field. Dynamic features of dibutyl phosphate (DBP)/bis(2-ethylhexyl)amine (BEEA) mixtures have been investigated by FT-IR, NMR, rheometry, Brillouin scattering, and magnetically-induced birefringence measurements as a function of the BEEA mole fracti…
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.
Comparison of 2D versus 3D diffusion analysis at Nanowire Electrodes: Finite element analysis and experimental study
2021
In electroanalysis, finite element simulations of electrochemical processes occurring at electrodes are used to provide key insight into experimental design in relation to diffusion profiles and expected currents. The diffusion domain approach (DDA) offers a means of reducing a three dimensional design to two dimensions to ease computational demands. However, the DDA approach can be limited when basic assumptions, for example that all electrodes in an array are equivalent, are incorrect. Consequently, to get a more realistic view of molecular diffusion to nanoelectrodes, it is necessary to undertake simulations in 3D. In this work, two and three dimensional models of electrodes comprising o…
Self-Assembling of Peptide/Membrane Complexes by Atomistic Molecular Dynamics Simulations
2007
Abstract Model biological membranes consisting of peptide/lipid-bilayer complexes can nowadays be studied by classical molecular dynamics (MD) simulations at atomic detail. In most cases, the simulation starts with an assumed state of a peptide in a preformed bilayer, from which equilibrium configurations are difficult to obtain due to a relatively slow molecular diffusion. As an alternative, we propose an extension of reported work on the self-organization of unordered lipids into bilayers, consisting of including a peptide molecule in the initial random configuration to obtain a membrane-bound peptide simultaneous to the formation of the lipid bilayer. This strategy takes advantage of the…