A SIMPLE METHOD FOR PREDICTION OF GAS-PERMEABILITY OF POLYMERS FROM THEIR MOLECULAR-STRUCTURE

A method for the prediction of gas permeabilities (P) through polymers from their chemical structure has been developed on the basis of the ratio of molar free volume to molar cohesive energy, V(f)/E(coh). The permeation of small gas molecules through polymer membranes is dependent on the chain packing density measured by V(f) and segmental motion of polymer chains measured by E(coh). But no simple relationship between P and V(f) or E(coh) alone was found. The permeability data of more than 60 polymers covering 7 orders of magnitude for six gases have been treated with linear regression analysis. All plots of log P vs. V(f)/E(coh) gave good straight lines. It is also found that a linear relationship holds when plotting both the intercepts and slopes of log P vs. V(f)/E(coh) lines against square of the diameters of gas molecules. Therefore, the permeabilities of all the non-swelling gases through a great variety of polymers can be estimated using two correlations above. Moreover, this method is more accurate than others in the literature and may found useful for the selection of gas separation or barrier membrane materials.

Investigation of ideal zirconium-doped perovskite-type ceramic membrane materials for oxygen separation

Zirconium-doped perovskite-type membrane materials of BaCo0.4Fe0.6-xZrxO3-delta (x = 0-0.4) with mixed oxygen ion and electron conductivity were synthesized through a method of combining citric and EDTA acid complexes. The results of X-ray diffraction (XRD), oxygen temperature-programmed desorption (O-2-TPD) and hydrogen temperature-programmed reduction (H-2-TPR) showed that the incorporation of proper amount of zirconium into BaCo0.4Fe0.6O3-delta could stabilize the ideal and cubic structure of perovskite. Studies on the oxygen permeability of the as-synthesized membrane disks under air/He gradient indicated that the content of zirconium in these materials had great effects on oxygen permeation flux, activation energy for oxygen permeation and operation stability. The high oxygen permeation flux of 0.90 ml cm(-2) min(-1) at 950degreesC, the single activation energy for oxygen permeation in the range of 600-950 degreesC and the long-term operation stability at a relatively lower operational temperature of 800 degreesC under air/He gradient were achieved for the BaCo0.4Fe0.4Zr0.2O3-delta material. Meanwhile, the effect of carbon dioxide on structural stability and oxygen permeability of this material was also studied in detail, which revealed that the reversible stability could be attained for it. (C) 2002 Elsevier Science B.V. All rights reserved.

Insight into permeability of protein through microcapsule membranes

The objective of this paper is to analyze the characteristics of protein permeability in alainate-polylysine-alginate (APA) and alginate-chitosan-alginate (ACA) microcapsules by mathematical models based on the balance of chemical potential. The comparison between calculated results and experimental data shows that the models can describe the process of protein diffusion from microcapsule and protein release into microcapsule successfully. The influences of membrane composition on the permeability of ACA microcapsule have been investigated and analyzed. The effect of resistance on the mass transfer is further analyzed theoretically with the aid of mathematical modeling. (c) 2005 Elsevier B.V. All rights reserved.

Effects of Surface Microtopology and Membrane Stiffness on Kinetics of Selectin/Ligand interactions by a Modified BFP

More and more evidences come out to support that the functionality of adhesion molecules are influenced by the surface microtopology of cell carrier or substrate. Adhesive molecules usually express on the microvilli of a cell, providing a well-defined spatial configuration to mediate the adhesions to the counterpart molecules on the apposed surface.

Permeability of Fractal Porous Media by Monte Carlo Simulations

The permeability of the fractal porous media is simulated by Monte Carlo technique in this work. Based oil the fractal character of pore size distribution in porous media, the probability models for pore diameter and for permeability are derived. Taking the bi-dispersed fractal porous media as examples, the permeability calculations are performed by the present Monte Carlo method. The results show that the present simulations present a good agreement compared with the existing fractal analytical solution in the general interested porosity range. The proposed simulation method may have the potential in prediction of other transport properties (such as thermal conductivity, dispersion conductivity and electrical conductivity) in fractal porous media, both saturated and unsaturated.

Molecular Dynamics Simulation Of Adhesion Forces In A Dipalmitoylphosphatidylcholine Membrane

Adhesion forces of Dipalmitoylphosphatidylcholine ( DPPC) membrane in the gel phase are investigated by molecular dynamics ( MD) simulation. In the simulations, individual DPPC molecules are pulled out of DPPC membranes with different rates and we get the maximum adhesion forces of DPPC membrane. We find that the maximum adhesion forces increase with pull rate, from about 400 to 700 pN when pull rates are from 0.001 to 0.03 nm/ps. We analyze the relationship between pull rate and adhesion forces of different origins using Brownian dynamics and notice that viscosity of solvent plays an important role in adhesion forces. Then we simulate the motion of a single DPPC molecule in solvent and it elucidates that the maximum drag force is almost linear with respect to the pull rate. We use Stokes' relation to describe the motion of a single DPPC molecule and deduce the effective length of a DPPC molecule. Conformational analyses indicate that the free energy variation of a DPPC molecule inside and outside of the DPPC membrane is an essential part of adhesion energy.

Role Of Vertical Component Of Surface Tension Of The Droplet On The Elastic Deformation Of Pdms Membrane

Poly(dimethylsiloxane) (PDMS) has been widely used in lab-on-a-chip and micro- total analysis systems (mu-TAS), thus wetting and electrowetting behaviors of PDMS are of great importance in these devices. PDMS is a kind of soft polymer material, so the elastic deformation of PDMS membrane by a droplet cannot be neglected due to the vertical component of the interfacial tension between the liquid and vapor, and this vertical component of liquid-vapor surface tension is also balanced by the stress distribution within the PDMS membrane. Such elastic deformation and stress distribution not only affect the exact measurement of contact angle, but also have influence on the micro-fluidic behavior of the devices. Using ANSYS code, we simulated numerically the elastic deformation and stress distribution of PDMS membrane on a rigid substrate due to the liquid-vapor surface tension. It is found that the vertical elastic deformation of the PDMS membrane is on the order of several tens of nanometers due to the application of a droplet with a diameter of 2.31 mm, which is no longer negligible for lab-on-a-chip and mu-TAS. The vertical elastic deformation increases with the thickness of the PDMS membrane, and there exists a saturated membrane thickness, regarded as a semi-infinite membrane thickness, and the vertical elastic deformation reaches a limiting value when the membrane thickness is equal to or thicker than such saturated thickness. (C) Koninklijke Brill NV, Leiden, 2008.

Influence Of Different Amount Of Au On The Wetting Behavior Of Pdms Membrane

Polydimethylsiloxane (PDMS) has been widely used as a base material for bio-MEMS/NEMS devices. It is difficult for PDMS to transfer and spread aqueous solution as a kind of highly hydrophobic material. Therefore, surface modification is necessary for PDMS to make it hydrophilic. In this paper, a method of hydrophilization of PDMS surface is proposed. Gold is sputtered to the PDMS substrate by sputter coater in different average thicknesses. Relationship between the average thickness of gold on the PDMS substrate and the contact angle of the surface was studied. It was found that even gold of average thickness less than 1 nm can result in about 25 degrees change of contact angle. AFM is also used to get topographic information of PDMS surface coated with gold. Three cases are classified with different amount of Au: (1) Heterogeneous zone; (2) Transition zone; (3) Film zone. For heterogeneous zone, a simple model about heterogeneous phase wetting is put forward to interpret this phenomenon.

Experimental study on the microstructure and nanomechanical properties of the wing membrane of dragonfly

Detailed investigations on the microstructure and the mechanical properties of the wing membrane of the dragonfly are carried out. It is found that in the direction of the thickness the membrane was divided into three layers rather than a single entity as traditionally considered, and on the surfaces the membrane displays a random distribution rough microstructure that is composed of numerous nanometer scale columns coated by the cuticle wax secreted. The characteristics of the surface structure are measured and described. The mechanical properties of the membranes taken separately from the wings of live and dead dragonflies are investigated by the nanoindentation technique. The Young's moduli obtained here are approximately two times greater than the previous result, and the reasons that yield the difference are discussed.

Microstructure and nanomechanical properties of the wing membrane of dragonfly

Detailed investigations on the microstructure and the mechanical properties of the wing membrane of the dragonfly were carried out. It was found that in the direction of the thickness the membrane was divided into three layers rather than as traditionally considered as a single entity, and on the surfaces the membrane displayed a random distribution rough microstructure that was composed of numerous nanometer scale columns coated by the cuticle wax secreted. The characteristics of the surfaces were accurately measured and a statistical radial distribution function of the columns was presented to describe the structural properties of the surfaces. Based on the surface microstructure, the mechanical properties of the membranes taken separately from the wings of living and dead dragonflies were investigated by the nanoindentation technique. The Young's moduli obtained here are approximately two times greater than the previous result, and the reasons that yield the difference are discussed. (C) 2007 Elsevier B.V. All rights reserved.

Transient Flows in Low Permeability Porous Media with Composite Start-Up Pressure Gradient

A new mathematical model for the transient flow in the composite low permeability is established. It is solved by FEM with different boundary conditions such as infinite, circular closed and constant pressure boundary conditions. The typical curves for transient wellbore pressure have been presented. It is shown that the pressure and pressure derivative curves with composite start-up pressure gradients have different slopes which are depended on the start-up pressure gradients and the mobility radios in different regions. The boundary effects are the same as the normal reservoirs without start-up pressure gradients. The study provides a new tool to analyze the transient pressure test data in the low permeability reservoir.

Molecular dynamics simulation of adhesion forces in a dipalmitoylphosphatidylcholine membrane

Adhesion forces of Dipalmitoylphosphatidylcholine ( DPPC) membrane in the gel phase are investigated by molecular dynamics ( MD) simulation. In the simulations, individual DPPC molecules are pulled out of DPPC membranes with different rates and we get the maximum adhesion forces of DPPC membrane. We find that the maximum adhesion forces increase with pull rate, from about 400 to 700 pN when pull rates are from 0.001 to 0.03 nm/ps. We analyze the relationship between pull rate and adhesion forces of different origins using Brownian dynamics and notice that viscosity of solvent plays an important role in adhesion forces. Then we simulate the motion of a single DPPC molecule in solvent and it elucidates that the maximum drag force is almost linear with respect to the pull rate. We use Stokes' relation to describe the motion of a single DPPC molecule and deduce the effective length of a DPPC molecule. Conformational analyses indicate that the free energy variation of a DPPC molecule inside and outside of the DPPC membrane is an essential part of adhesion energy.

Deformation Of Pdms Membrane And Microcantilever By A Water Droplet: Comparison Between Mooney-Rivlin And Linear Elastic Constitutive Models

In this paper, we studied the role of vertical component Of Surface tension of a water droplet on the deformation of membranes and microcantilevers (MCLs) widely used in lab-on-a-chip and micro-and nano-electromechanical system (MEMS/NEMS). Firstly, a membrane made of a rubber-like material, poly(dimethylsiloxane) (PDMS), was considered. The deformation was investigated using the Mooney-Rivlin (MR) model and the linear elastic constitutive relation, respectively. By comparison between the numerical solutions with two different models, we found that the simple linear elastic model is accurate enough to describe such kind of problem, which would be quite convenient for engineering applications. Furthermore, based on small-deflection beam theory, the effect of a liquid droplet on the deflection of a MCL was also studied. The free-end deflection of the MCL was investigated by considering different cases like a cylindrical droplet, a spherical droplet centered on the MCL and a spherical droplet arbitrarily positioned on the MCL. Numerical simulations demonstrated that the deflection might not be neglected, and showed good agreement with our theoretical analyses. (C) 2008 Elsevier Inc. All rights reserved.

Elastic deformation of soft membrane with finite thickness induced by a sessile liquid droplet

In this paper, the role of vertical component of Surface tension of a droplet on the elastic deformation of a finite-thickness flexible membrane was theoretically analyzed using Hankel transformation. The vertical displacement at the Surface was derived and can be reduced to Lester's or Rusanov's solutions when the thickness is infinite. Moreover, some Simulations of the effect of a liquid droplet on a membrane with a finite thickness were made. The numerical results showed that there exists a saturated membrane thickness of the order of millimeter, when the thickness of a membrane is larger than such a value, the membrane can be regarded as a half-infinite body. Further numerical calculations for soft membrane whose thickness is far below the saturated thickness were made. By comparison between the maximum vertical displacement of an ultrathin soft membrane and a half-infinite body, we found that Lester's or Rusanov's solutions for a half-infinite body cannot correctly describe Such cases. In other words, the thickness of a soft membrane has great effect on the surface deformation of the ultrathin membrane induced by a liquid droplet. (C) 2009 Elsevier Inc. All rights reserved.