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Atomistic packing models have been created, which help to better understand the experimentally observed swelling behavior of glassy polysulfone and poly (ether sulfone), under CO2 gas pressures up to 50 bar at 308 K. The experimental characterization includes the measurement of the time-dependent volume dilation of the polymer samples after a pressure step and the determination of the corresponding gas concentrations by gravimetric gas-sorption measurements. The models obtained by force-field-based molecular mechanics and molecular dynamics methods allow a detailed atomistic analysis of representative swelling states of polymer/gas systems, with respect to the dilation of the matrix. Also, changes of free volume distribution and backbone mobility are accessible. The behavior of gas molecules in unswollen and swollen polymer matrices is characterized in terms of sorption, diffusion, and plasticization.
Herein, we examine the influence of adding functionalized graphene (FG), distinct expanded graphites and carbon nanofillers such as carbon black and multiwall carbon nanotubes on mechanical properties, morphology, pyrolysis, response to small flame and burning behavior of a V-2 classified flame-retarded polypropylene (PP). Among carbon fillers, FG and multilayer graphene (MLG) containing fewer than 10 layers are very effectively dispersed during twin-screw extrusion and account for enhanced matrix reinforcement. In contrast to the other fillers, no large agglomerates are detected for PP-FR/FG and PP-FR/MLG, as verified by electron microscopy. Adding FG to flame-retardant PP prevents dripping due to reduced flow at low shear rates and shifts the onset of thermal decomposition to temperatures 40°C higher. The increase in the onset temperature correlates with the increasing specific surface areas (BET) of the layered carbon fillers. The reduction of the peak heat release rate by 76% is attributed to the formation of effective protection layers during combustion. The addition of layered carbon nanoparticles lowers the time to ignition. The presence of carbon does not change the composition of the evolved pyrolysis gases, as determined by thermogravimetric analysis combined with online Fourier-transformed infrared measurements. FG and well-exfoliated MLG are superior additives with respect to spherical and tubular carbon nanomaterials.
The influence of distinct carbon based nanofillers: expanded graphite (EG), conducting carbon black (CB), thermally reduced graphene oxide (TRGO) and multi-walled carbon nanotubes (CNT) on the thermal, dielectric, electrical and rheological properties of polybutylene terephthalate (PBT) was examined. The glass transition temperature (Tg) of PBT nanocomposites is independent of the filler type and content. The carbon particles act as nucleation agents and significantly affect the melting temperature (Tm), the crystallization temperature (Tc) and the degree of crystallinity of PBT composites. PBT composites with EG show insulating behaviour over the tested concentration range of 0.5 to 2 wt.-% and hardly changed rheological behaviour. CB, CNT and TRGO induce electrical conductivity to their particular PBT composites by forming a conducting particle network within the polymer matrix. CNT reached the percolation threshold at the lowest concentration (<0.5 wt.-%), followed by TRGO (<1 wt.-%) and CB (<2 wt.-%). With the formation of a particle network, the flow behaviour of composites with CB, CNT and TRGO is affected, i.e., a flow limit occurs and the melt viscosity increases. The degree of influence of the carbon nanofillers on the rheological properties of PBT composites follows the same order as for electrical conductivity. Electrical and rheological results suggest an influence attributed to the particle dispersion, which is proposed to follow the order of EG<< CB<TRGO<CNT.
DICONDE (Digital Imaging and Communication in Non-Destructive Testing) is an open international standard for storing and exchanging industrial test data and process-related information. The DICONDE standard defines both the semantics for structured storage of data and the network-based communication between two endpoints. This allows many test processes to be mapped digitally and securely, while at the same time meeting normative requirements such as traceability to the tester and test object and reproducibility of test results.
Herein we investigate the influence of carbon additives with different particle sizes and shapes on the flame retardancy and mechanical properties of isotactic polypropylene. Thermally reduced graphite oxide (TRGO) and multi-layer graphene (MLG250), consisting of few graphene layers, are compared with spherical, tubular and platelet-like carbon fillers such as carbon black (CB), multiwall nanotubes (MWNT) and expanded graphite (EG). The different morphologies control the dispersion of the carbon particles in PP and play a key role in structure–property relationships. Uniformly dispersed CB, MLG250 and TRGO shift the onset temperature of PP decomposition to temperatures around 30 °C higher, induce a flow limit in the composites' melt viscosity and change drastically their fire behaviour. The prevented dripping and significantly increased heat absorption result in decreased time to ignition and hardly any change in the reaction to a small flame. Under forced-flaming conditions reductions in the peak heat release rate of up to 74% are achieved due to the formation of a protective layer of residue during combustion. The described effects of carbon nanomaterials on the properties of PP composites are most pronounced for well-exfoliated graphenes, making them preferable to less exfoliated, micron-sized expanded graphite or conventional spherical and tubular carbon nanoparticles.
Functionalized graphene nanosheets TRGO and MLG 250, prepared from thermally reduced graphite oxide, represent attractive carbon additives for improving the performance of flame retardant polypropylene (PP-FR). The influence of carbon nanofiller type and content on morphology, thermal, mechanical, and electrical properties as well as the fire behavior of melt-extruded PP-FR is investigated. In contrast to conventional nano- and micron-sized carbon fillers such as expanded graphite (EG 40), nano-scaled carbon black (CB), and multiwall carbon nanotubes (CNT), only TRGO and MLG 250 afford uniform dispersion combined with simultaneously improved stiffness (+80%), electrical conductivity (3 × 10-5 S · cm-1) and enhanced flame retardancy of PP-FR, as expressed by lower peak heat release rate (-76%).
Detailed atomistic simulations were carried out for swelling polymer/gas systems related to experimental sorption and dilation data for CO2 and CH4 in three glassy polymers (polysulfone PSU, the polyimide 6FDA-TrMPD, and a polymer of intrinsic microporosity PIM-1) at 308 K (35 °C) and pressures up to 50 bar. Corresponding experiments were performed with a gravimetric sorption balance and a dilatometer based on a capacitance distance sensor. For each polymer/gas system molecular packing models were prepared and equilibrated for two reference states: the pure polymer is taken as reference for the respective 'unswollen' state and similarly the state of the highest penetrant pressure reached in the corresponding experiment is taken to represent the 'swollen' state. Models for the latter were constructed in agreement with experimental data (pressure, temperature, gas concentration and volume dilation). Concentration–pressure isotherms of each polymer/gas system were obtained using Grand Canonical Monte Carlo (GCMC) simulations for both reference states (depleted of gas molecules), which are in good agreement with the experimental data in the respective pressure range. As expected these isotherms – due to the simulation technique used, merely based on hole-filling in a static host matrix – do not represent the sorption behavior over a broader range of gas pressures which may involve significant structural rearrangements as well as swelling and relaxational phenomena. Nevertheless, a linear combination of the two GCMC-isotherms allows the interpolation in order to describe the nonlinear gas sorption in the glassy polymers under investigation covering the penetrant pressure range between the reference states in good agreement with the experimental results.