Understanding water and ion transport behaviour and permeability through poly(amide) thin film composite membrane

Molecular dynamics (MD) together with the adaptive biasing force (ABF) and metadynamics free energy calculation methods was used to investigate the permeation properties of salt water through poly(amide) thin film composite reverse osmosis membranes. The thin films were generated by annealing an amorphous cell of poly(amide) chains through an MD method. The MD results showed they have typical structural properties of the active layer of thin film composite membranes and comparable water diffusivity (2.13×10^-5cm²/s for the film with a density of 1.06g/cm³) and permeability (9.27×10^-15cm³cm/cm²sPa) to experimental data. The simulations of water permeation through the films under different transmembrane pressures revealed the behaviours of water molecules in the thin films and the dynamic regimes of water permeation, including Brownian diffusion, flush and jump diffusion regimes. The intermolecular interactions of water and ions with poly(amide) chains showed a strong dependence on the local structure of films. The attraction between water and ploy(amide) molecules can be up to 8.5kcal/mol in dense polymer regions and 5kcal/mol in the pores of about 3nm. The ABF and metadynamics simulations produced the profiles of free energy potential of water and ions along the depth of the thin films, which provided important information for quantitatively determining the barrier energy required for water permeation and rejection of ions. The thin film with a density of 1.06g/cm³ and a thickness of 6nm offers a rejection to Na⁺ but a slight absorption of Cl^- (0.25kcal/mol) at 0.3-0.4nm distance to its surface. Water molecules must overcome 63kcal/mol energy to move to the centre of the film. The dependences of the barrier energy and the water-polymer interaction energy on the local free volume size in the thin film were analysed. The simulations of water permeation under high transmembrane pressures showed a nonlinear response of the concentration and distribution of water molecules in the film to the imposed pressure. Compaction of the film segments close to the porous substrate and water congestion in dense regions significantly influenced the water permeation when the membrane was operated under pressures of more than 3.0MPa.

Molecular dynamics approach to the structural characterization and transport properties of poly(acrylonitrile)/N,N-dimethylformamide solutions

Poly(acrylonitrile) (PAN) in N,N-dimethylformamide (DMF) is a popular solution for producing large variety of polymer products. To precisely describe the behaviours of PAN and DMF in the synthesis processes, it is significant to call for more details about the structure, some thermodynamic and dynamical properties of PAN-DMF solutions. A PAN-DMF solution was simulated via molecular dynamics with an all-atom OPLS type potential in both the NPT and NVT ensembles. The simulation results were evaluated with quantum mechanical calculations (MP2/6-311 ++G(d,p) and counterpoise procedure) and were compared with available experimental results. The liquid structure was illustrated with pair correlation functions and transport and dynamics properties were calculated with the mean-square displacements MSD and the velocity autocorrelation functions. The strong H-bonds of C≡N « H-C=O, CH » O=C-H and CH2 O=C-H, with distances of 2.55 Å, 2.55 Å and 2.65 Å, respectively, were found. The largest interaction energy of - 7.157 kcal/mol between DMF molecules and PAN molecules was found at 4.9 Å center-of-mass distance. A potential profile of intermolecular interaction of DMF with PAN along the interaction distance was presented, clearly showing an increase of DMF vaporisation heat when it getting close to PAN molecules. This provided very useful information to analyse the vaporisation behaviours of DMF at the microscopic level, which is essential to comprehensively understand molecular rearrangements towards the design of synthetic processes. The impact of the presence of the PAN on the DMF solution properties were also benchmarked with pure DMF solution.

Energy system interaction and relative contribution during maximal exercise

There are 3 distinct yet closely integrated processes that operate together to satisfy the energy requirements of muscle. The anaerobic energy system is divided into alactic and lactic components, referring to the processes  involved in the splitting of the stored phosphagens, ATP and  phosphocreatine (PCr), and the nonaerobic breakdown of carbohydrate to lactic acid through glycolysis. The aerobic energy system refers to the combustion of carbohydrates and fats in the presence of oxygen. The anaerobic pathways are capable of regenerating ATP at high rates yet are limited by the amount of energy that can be released in a single bout of intense exercise. In contrast, the aerobic system has an enormous capacity yet is somewhat hampered in its ability to delivery energy quickly. The focus of this review is on the interaction and relative contribution of the energy systems during single bouts of maximal exercise. A particular emphasis has been placed on the role of the aerobic energy system during high intensity exercise.

Attempts to depict the interaction and relative contribution of the energy systems during maximal exercise first appeared in the 1960s and 1970s. While insightful at the time, these representations were based on calculations of anaerobic energy release that now appear questionable. Given repeated reproduction over the years, these early attempts have lead to 2 common misconceptions in the exercise science and coaching professions. First, that the energy systems respond to the demands of intense exercise in an almost sequential manner, and secondly, that the aerobic system responds slowly to these energy demands, thereby playing little role in determining performance over short durations. More recent research suggests that energy is derived from each of the energy-producing pathways during almost all exercise activities. The duration of maximal exercise at which equal contributions are derived from the anaerobic and aerobic energy systems appears to occur between 1 to 2 minutes and most probably around 75 seconds, a time that is considerably earlier than has traditionally been suggested.

Energy absorption and crushing behaviour of foam-filled aluminium tubes

The crushing behaviour and energy absorption of foam filled aluminium tubular structures were investigated using the quasi-static compressive tests. The crushing behaviour of the tubular structures changed due to foam filling. The energy absorption of the foam filled tubular structures was improved significantly. Foam filling caused an interaction effect between the tube and the foam during progressive crushing, leading to an increase in the mean crushing load compared to that of the foam or tube itself. This interaction effect might be affected by several parameters such as the density of the foam, the properties of both the foam material and tube material, and the thickness and outer diameter of the tube. In particular, the interaction effect essentially depended on the ratio of the mean crushing force of the foam to that of the tube.

Occupant interaction with interior environment in Greek dwellings during summer

User behaviour significantly affects energy consumption simulation estimates, which can consequently influence architectural design decisions at an early stage. Different regional behavioural patterns could, therefore, hinder the applicability of certain architectural and environmental strategies. Through questionnaires analysis and field studies, this study investigates the pattern use of manual control of windows, shading and air condition units, in residential buildings in Greece, during summer. Initial findings of the analysis indicate significant interaction of Greek residents with the building shell, in their effort to maintain comfort.

Design and analysis of an antenna for wireless energy harvesting in head-mountable DBS device

This paper presents design and simulation of a circular meander dipole antenna at the industrial, scientific, and medical band of 915 MHz for energy scavenging in a passive head-mountable deep brain stimulation device. The interaction of the proposed antenna with a rat body is modeled and discussed. In the antenna, the radiating layer is meandered, and a FR-4 substrate is used to limit the radius and height of the antenna to 14 mm and 1.60 mm, respectively. The resonance frequency of the designed antenna is 915 MHz and the bandwidth of 15 MHz at a return loss of -10 dB in free space. To model the interaction of the antenna with a rat body, two aspects including functional and biological are considered. The functional aspect includes input impedance, resonance frequency, gain pattern, radiation efficiency of the antenna, and the biological aspect involves electric field distribution, and SAR value. A complete rat model is used in the finite difference time domain based EM simulation software XFdtd. The simulated results demonstrate that the specific absorption rate distributions occur within the skull in the rat model, and their values are higher than the standard regulated values for the antenna receiving power of 1W.

Electromagnetic energy harvesting in a head-mountable DBS device using a circular PIFA

A circular planar inverted-F antenna (PIFA) is designed and simulated at the industrial, scientific, and medical (ISM) band of 915 MHz for energy harvesting in a head-mountable deep brain stimulation device. Moreover, a rectifier is designed, and also the interaction of the PIFA with a rat head model is investigated. In the proposed PIFA, the top radiating layer is meandered, and a substrate of FR-4 is used. The radius and the height of the antenna are 10 mm and 1.8 mm, respectively. The bottom conductive layer works as a ground plate, and a superstrate of polyethylene reduces the electromagnetic penetration into the rat head. The resonance frequency of the designed antenna is 915 MHz with a bandwidth of 18 MHz at the return loss of -10 dB in free space. The antenna parameters (e.g. reflection coefficient, gain, radiation efficiency), electric field distribution, and SAR value are evaluated within a seven-layer rat head model by using the finite difference time domain EM simulation software XFdtd. The interactions of the antenna and the rat head model are studied in both functional and biological aspects.

Leptin's metabolic and immune functions can be uncoupled at the ligand/receptor interaction level.

The adipocyte-derived cytokine leptin acts as a metabolic switch, connecting the body's metabolism to high-energy consuming processes such as reproduction and immune responses. We here provide genetic and biochemical evidence that the metabolic and immune functions of leptin can be uncoupled at the receptor level. First, homozygous mutant fatt/fatt mice carry a spontaneous splice mutation causing deletion of the leptin receptor (LR) immunoglobulin-like domain (IGD) in all LR isoforms. These mice are hyperphagic and morbidly obese, but display only minimal changes in size and cellularity of the thymus, and cellular immune responses are unaffected. These animals also displayed liver damage in response to concavalin A comparable to wild-type and heterozygous littermates. Second, treatment of healthy mice with a neutralizing nanobody targeting IGD induced weight gain and hyperinsulinaemia, but completely failed to block development of experimentally induced autoimmune diseases. These data indicate that leptin receptor deficiency or antagonism profoundly affects metabolism, with little concomitant effects on immune functions.

Is there an interaction between socioeconomic status and FRAX 10-year fracture probability determined with and without bone density measures? Data from the Geelong Osteoporosis Study of female cohort.

FRAX(©) evaluates 10-year fracture probabilities and can be calculated with and without bone mineral density (BMD). Low socioeconomic status (SES) may affect BMD, and is associated with increased fracture risk. Clinical risk factors differ by SES; however, it is unknown whether aninteraction exists between SES and FRAX determined with and without the BMD. From the Geelong Osteoporosis Study, we drew 819 females aged ≥50 years. Clinical data were collected during 1993-1997. SES was determined by cross-referencing residential addresses with Australian Bureau of Statistics census data and categorized in quintiles. BMD was measured by dual energy X-ray absorptiometry at the same time as other clinical data were collected. Ten-year fracture probabilities were calculated using FRAX (Australia). Using multivariable regression analyses, we examined whether interactions existed between SES and 10-year probability for hip and any major osteoporotic fracture (MOF) defined by use of FRAX with and without BMD. We observed a trend for a SES * FRAX(no-BMD) interaction term for 10-year hip fracture probability (p = 0.09); however, not for MOF (p = 0.42). In women without prior fracture (n = 518), we observed a significant SES * FRAX(no-BMD) interaction term for hip fracture (p = 0.03) and MOF (p = 0.04). SES does not appear to have an interaction with 10-year fracture probabilities determined by FRAX with and without BMD in women with previous fracture; however, it does appear to exist for those without previous fracture.

A decentralised multi-agent approach to enhance the stability of smart microgrids with renewable energy

This paper presents the impact of large penetration of wind power on the transient stability through a dynamic evaluation of the critical clearing times (CCTs) by using intelligent agent-based approach. A decentralised multi-agent-based framework is developed, where agents represent a number of physical device models to form a complex infrastructure for computation and communication. They enable the dynamic flow of information and energy for the interaction between the physical processes and their activities. These agents dynamically adapt online measurements and use the CCT information for relay coordination to improve the transient stability of power systems. Simulations are carried out on a smart microgrid system for faults at increasing wind power penetration levels and the improvement in transient stability using the proposed agent-based framework is demonstrated.

Novel design of a renewable energy remote laboratory

BACKGROUND OR CONTEXT: Current work in remote laboratories focuses on student interaction in a setting that can be at times disconnected from real world systems. Laboratories have been developed that show models of a working system, focusing on a single aspect, but very few laboratories allow the user to see the outputs of a working system that interacts with the real world as would be expected outside of a laboratory setting. It was aimed with this paper to show a design of a novel approach to building a remote laboratory that would be able to interact with a fully functional renewable energy system, and to show the students the outputs of such a system in real time. It allows for the user to be presented with information in a new context.
PURPOSE OR GOAL: With this research it is hoped to achieve a remote laboratory that will be able to present students with the data from a renewable energy system live, as it is generated as well as all the logged date generated. It is aimed with this novel approach to building a remote laboratory to assist the students in learning about renewable energy systems while allowing the student to access real data, instead of simulated data. Links to increased motivation due to realism in data given as well as change in student perception on learning in remote laboratories mean that a system such as this could change the way students approach learning about renewable energy generation systems. This will require further research however.
APPROACH: This remote laboratory required gathering data from an already established system. The live results were not recorded, and a log file was generated daily, however this was not fast enough to give to students as it was generated, so a system that could maintain communication between all systems, while also polling for data itself was required. In addition to this, the system had to communicate to a server that would give students access to the live data. The server was set up in such a way that students were not required to install any programs on their computer, multiple students could access the data at any given time, and a wide range of devices, including mobile devices, could all access the remote laboratory.
DISCUSSION: Key outcomes include the design of the remote laboratory, including screenshots of data acquisition from the renewable energy system from different devices. The design is split into two sections, one covering the server side architecture while another covers the data acquisition architecture. A very brief discussion on students’ initial interaction is also undertaken.
RECOMMENDATIONS/IMPLICATIONS/CONCLUSION: Research has shown that the degree of realism in remote education can have an effect on students’ behaviors/motivation in a remote laboratory. By allowing students to knowingly access a real system that is currently being used to generate power from renewable energy sources, the methods and motivations that students use when approaching renewable energy systems may change.