Search results for "plastics"
showing 10 items of 2724 documents
Phase Equilibria of Lattice Polymers from Histogram Reweighting Monte Carlo Simulations
1998
Histogram-reweighting Monte Carlo simulations were used to obtain polymer / solvent phase diagrams for lattice homopolymers of chain lengths up to r=1000 monomers. The simulation technique was based on performing a series of grand canonical Monte Carlo calculations for a small number of state points and combining the results to obtain the phase behavior of a system over a range of temperatures and densities. Critical parameters were determined from mixed-field finite-size scaling concepts by matching the order parameter distribution near the critical point to the distribution for the three-dimensional Ising universality class. Calculations for the simple cubic lattice (coordination number z…
The escape transition of a compressed star polymer: Self-consistent field predictions tested by simulation
2013
The escape transition of a polymer "mushroom" (a flexible chain grafted to a flat non-adsorbing substrate surface in a good solvent) occurs when the polymer is compressed by a cylindrical piston of radius $R$, that by far exceeds the chain gyration radius. At this transition, the chain conformation abruptly changes from a two-dimensional self-avoiding walk of blobs (of diameter $H$, the height of the piston above the substrate) to a "flower conformation", i.e. stretched almost one-dimensional string of blobs (with end-to-end distance $\approx R$) and an "escaped" part of the chain, the "crown", outside the piston. The extension of this problem to the case of star polymers with $f$ arms is c…
Scattering from concentration fluctuations in polymer blends: A monte carlo investigation
1989
The collective scattering function Scoll( $$\vec q$$ ), which describes light (neutron-, x-ray) scattering under wavevector $$\vec q$$ , is obtained from Monte Carlo simulations for a symmetrical polymer mixture. The polymers are modelled by self-avoiding walks ofN A=NB=N steps on a simple cubic lattice, where a fractionφ V of sites is left vacant, and an attractive energye occurs if two neighboring sites are taken by the same kind of monomer. Spinodal curves are estimated from linear extrapolation of S coll −1 (0) vs.e/k B T, whereT is the temperature. Also the single chain structure factor is obtained and the de Gennes random phase approximation (RPA) can thus be tested. Unexpectedly, str…
Bottom-up construction of dynamic density functional theories for inhomogeneous polymer systems from microscopic simulations
2020
We propose and compare different strategies to construct dynamic density functional theories (DDFTs) for inhomogeneous polymer systems close to equilibrium from microscopic simulation trajectories. We focus on the systematic construction of the mobility coefficient, $\Lambda(r,r')$, which relates the thermodynamic driving force on monomers at position $r'$ to the motion of monomers at position $r$. A first approach based on the Green-Kubo formalism turns out to be impractical because of a severe plateau problem. Instead, we propose to extract the mobility coefficient from an effective characteristic relaxation time of the single chain dynamic structure factor. To test our approach, we study…
Temperature and pressure dependence of the viscosities of perfluoropolyether fluids
1987
The viscosities of two structurally different perfluoropolyether fluids were determined at a series of temperatures and pressures, from 25 to 100°C and from 1 to 1000 bars. Flow activation energies and volumes as well as their temperature and pressure coefficients were derived. An attempt was made to relate measured and derived quantities to the compound structures.
Preparation and Characterization of Polyolefin-Based Nanocomposite Blown Films for Agricultural Applications
2009
These kinds of filmshave,asaprimaryaim,tocreateafavorablemicro-climateto accelerate the plant growth.Thematerialsfortheseapplicationsmustpossessseveralspecificandpeculiarcharacteristics,suchastheabilitytobeshaped into films (even with wide dimensions and largethickness ranges), good deformability and tear resistancetogetherwithasufficientrigidity,transparencyforUVandIR radiation in particular regions of the spectrum, a goodresistance to photo-oxidative phenomena and for someapplications to provide a barrier for certain gases.Moreover, an important property requested for thematerials used for greenhouse covering is the capabilityto diffuse the light. In fact, according to some studies,diffused l…
Plasma Functionalization of Multiwalled Carbon Nanotubes and Their Use in the Preparation of Nylon 6-Based Nanohybrids
2012
The possibility to obtain carbon nanotubes (CNT)/polyamide 6 composites with excellent mechanical properties in a simple, industrially scalable way is investigated. Commercial CNTs are treated by plasma while changing some key parameters (exposure time, plasma power, type of gas) in order to optimize the process and to achieve a sufficient degree of functionalization. The treated samples are characterized by Fourier transform infrared spectroscopy, Raman spectroscopy and X-ray photoelectron spectroscopy. The most interesting samples are selected to be used as reinforcing fillers, in different concentrations, in a polyamide 6 matrix. The mechanical tests show a dramatic increase of both tens…
Thermotropic polyesters with mesogenic groups based on substituted hydroquinone units and highly flexible siloxan spacer in the main chain
1984
New thermotropic Polyesters having mesogenic groups based on substituted hydroquinone units and highly flexible oligosiloxan spacer in the main chain, are synthesized and characterized. The mesophase formed at low temperature are studied by differential scanning calorimetry (DSC) and polarized light microscopy. The liquid crystalline behaviour of these polyesters, particulary their transition temperatures and the mesophase width could be explained on the basis of their structural features.
Microbes and Persistent Organic Pollutants in the Marine Environment
2020
Marine pollution has increased reaching the entire marine environment, from the surface to the deepest sediment, and has become more concerning in the last 70 years. Persistent organic pollutants (POPs) are a fraction of ocean waste that includes, among the others, polycyclic aromatic hydrocarbons (PAHs) and plastic polymers. These chemicals have an extremely long half-life, and (bio)accumulate and damage the marine flora and fauna, and, ultimately, human health. Some organisms have evolved enzymes to attack POPs in the environment and transform them into biomass and CO2. Several microorganisms degrade many POPs in relatively short time. A wide variety of bacteria has been isolated with dif…
Monitoring and Origin of Polycyclic Aromatic Hydrocarbons (PAHs) in Effluents from a Surface Treatment Industry
2017
In Europe, polycyclic aromatic hydrocarbons (PAHs) are a source of concern due to their toxic effects and are considered as priority pollutants by water authorities. In this study, we reported the ...