Development of Composite PCMs by Incorporation of Paraffin into Various Building Materials.
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ABSTRACT: In this research, we focused on the development of composite phase-change materials (CPCMs) by incorporation of a paraffin through vacuum impregnation in widely used building materials (Kaolin and ground granulated blast-furnace slag (GGBS)). The composite PCMs were characterized using environmental scanning electron microscopy (ESEM), Fourier transform infrared spectroscopy (FT-IR), differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) techniques. Moreover, thermal performance of cement paste composite PCM panels was evaluated using a self-designed heating system. Test results showed that the maximum percentage of paraffin retained by Kaolin and GGBS was found to be 18% and 9%, respectively. FT-IR results show that CPCMs are chemically compatible. The phase-change temperatures of CPCMs were in the human comfort zone, and they possessed considerable latent-heat storage capacity. TGA results showed that CPCMs are thermally stable, and they did not show any sign of degradation below 150 °C. From thermal cycling tests, it was revealed that the CPCMs are thermally reliable. Thermal performance tests showed that in comparison to the control room model, the room models prepared with CPCMs reduced both the temperature fluctuations and maximum indoor center temperature. Therefore, the prepared CPCMs have some potential in reducing peak loads in buildings when applied to building facade.
Project description:A general direction for diversifying metal-organic frameworks (MOFs) is demonstrated by the synthesis of composite inorganic clusters between indium and s-, d-, and f-block elements. These previously unknown heterometallic clusters, with various nuclearity, geometry, charge, and metal-to-metal ratios, significantly expand the pool of inorganic building blocks that are highly effective for the construction of porous MOFs with high gas uptake capacity.
Project description:Paraffin-based composites represent a promising class of materials with numerous practical applications such as e.g. heat storage. Computer modeling of these complex multicomponent systems requires a proper theoretical description of both the n-alkane matrix and the non-alkane filler molecules. The latter can be modeled with the use of a state-of-the-art general-purpose force field such as GAFF, CHARMM, OPLS-AA and GROMOS, while the paraffin matrix is traditionally described in the frame of relatively old, alkane-specific force fields (TraPPE, NERD, and PYS). In this paper we link these two types of models and evaluate the performance of several general-purpose force fields in computer modeling of paraffin by their systematic comparison with earlier alkane-specific models as well as with experimental data. To this end, we have performed molecular dynamics simulations of n-eicosane bulk samples with the use of 10 different force fields: TraPPE, NERD, PYS, OPLS-UA, GROMOS, GAFF, GAFF2, OPLS-AA, L-OPLS-AA, and CHARMM36. For each force field we calculated several thermal, structural and dynamic characteristics of n-eicosane over a wide temperature range. Overall, our findings show that the general-purpose force fields such as CHARMM36, L-OPLS-AA and GAFF/GAFF2 are able to provide a realistic description of n-eicosane samples. While alkane-specific models outperform most general-purpose force fields as far as the temperature dependence of mass density, the coefficient of volumetric thermal expansion in the liquid state, and the crystallization temperature are concerned, L-OPLS-AA, CHARMM36 and GAFF2 force fields provide a better match with experiment for the shear viscosity and the diffusion coefficient in melt. Furthermore, we show that most general-purpose force fields are able to reproduce qualitatively the experimental triclinic crystal structure of n-eicosane at low temperatures.
Project description:Octacalcium phosphate (OCP; Ca8(HPO4)2(PO4)4 ∙ 5H2O) is a precursor of hydroxyapatite found in human bones and teeth, and is among the inorganic substances critical for hard tissue formation and regeneration in the human body. OCP has a layered structure and can incorporate carboxylate ions into its interlayers. However, studies involving the incorporation of tetracarboxylic and multivalent (pentavalent and above) carboxylic acids into OCP have not yet been reported. In this study, we investigate the incorporation of pyromellitic acid (1,2,4,5-benzenetetracarboxylic acid), a type of tetracarboxylic acid, into OCP. We established that pyromellitate ions could be incorporated into OCP by a wet chemical method using an acetate buffer solution containing pyromellitic acid. The derived OCP showed a brilliant blue emission under UV light owing to the incorporated pyromellitate ions. Incorporation of a carboxylic acid into OCP imparted new functions, which could enable the development of novel functional materials for biomedical applications.
Project description:Natural materials can provide cost-effective way in the development of various products for specific applications. On the hand, physicochemical properties of composite materials can be enhanced to perform a specific process of interest such as wastewater treatment. Clay materials have been used for many applications including brick making and wastewater treatment. To enhance the properties of natural materials such as clay, multiwalled carbon nanotubes (MWCNTs) were used to enhance the properties of natural clays. Natural clays and MWCNTs composites were characterized to provide insights as a starting point for various applications. There are two sets of data presented in this study: i) raw material, unheated and heated (at 900 °C); ii) natural clay, MWCNTs and natural clay/MWCNTs composites. The chemical composition and phase identification analyzes were carried out using X-ray Fluorescence (XRF) and X-Ray Diffraction (XRD), respectively. A Fourier-transform infrared (FTIR) spectrometer was used to determine the functional groups of the samples. The UV-vis analyzes were carried out to investigate the reflectance percentage of the natural clays and the composites samples. The Thermogravimetric analysis (TGA) analyzes were performed to investigate the weight loss and dehydration process of the samples. The presented data showed that natural clays and natural clays/MWCNTs composites can be used for various applications such as construction industry, for cosmetic usages and for the removal of pollutants in aqueous solutions.
Project description:We present results showing the capability of concrete-based information processing substrate in the signal classification task in accordance with in materio computing paradigm. As the Reservoir Computing is a suitable model for describing embedded in materio computation, we propose that this type of presented basic construction unit can be used as a source for "reservoir of states" necessary for simple tuning of the readout layer. We present an electrical characterization of the set of samples with different additive concentrations followed by a dynamical analysis of selected specimens showing fingerprints of memfractive properties. As part of dynamic analysis, several fractal dimensions and entropy parameters for the output signal were analyzed to explore the richness of the reservoir configuration space. In addition, to investigate the chaotic nature and self-affinity of the signal, Lyapunov exponents and Detrended Fluctuation Analysis exponents were calculated. Moreover, on the basis of obtained parameters, classification of the signal waveform shapes can be performed in scenarios explicitly tuned for a given device terminal.
Project description:Creating connection points for sandwich-structured composites without losing technical performance is key to realising optimal lightweight structures. The patented LiteWWeight® technology presents cost-effective connections on sandwich panels in a fraction of a few seconds without predrilling. Ultrasonic equipment is used to insert a thermoplastic fastener into the substrate material and partially melt it into the porous internal structure. This creates a highly interlocked connection (connection strength is above 500 N) suitable for semi-structural applications. This study focused on the simulation and experimental validation of this process, mainly on the interaction between the pin and the substrate material during the joining process. The dynamic thermo-mechanical model showed reasonable agreement with experimental methods such as process data, high-speed camera monitoring or computed tomography and allowed the prediction of the connection quality by evaluation of the degree of interlock. The connection strength prediction by the developed model was validated within several various process setups, resulting in a prediction accuracy between 94-99% depending on the setup.
Project description:We describe an approach to print composite polymers in high-resolution three-dimensional (3D) architectures that can be rapidly transformed to a new permanent configuration directly by heating. The permanent shape of a component results from the programmed time evolution of the printed shape upon heating via the design of the architecture and process parameters of a composite consisting of a glassy shape memory polymer and an elastomer that is programmed with a built-in compressive strain during photopolymerization. Upon heating, the shape memory polymer softens, releases the constraint on the strained elastomer, and allows the object to transform into a new permanent shape, which can then be reprogrammed into multiple subsequent shapes. Our key advance, the markedly simplified creation of high-resolution complex 3D reprogrammable structures, promises to enable myriad applications across domains, including medical technology, aerospace, and consumer products, and even suggests a new paradigm in product design, where components are simultaneously designed to inhabit multiple configurations during service.
Project description:The results of the investigations into the technological formation of new wear-resistant polymer composites based on polytetrafluoroethylene (PTFE) filled with disperse synthetic and natural compounds are presented. The efficiency of using PTFE composites reinforced with carbon fibers depends on many factors, which influence the significant improvement of physicomechanical characteristics. The results of this research allow stating that interfacial and surface phenomena of the polymer-solid interface and composition play a decisive role in PTFE composites properties. Fillers hinder the relative movement of the PTFE molecules past one another and, in this way, reduce creep or deformation of the parts, reducing the wear rate of parts used in dynamic applications as well as the coefficient of thermal expansion. The necessary structural parameters of such polymer composites are provided by regimes of process equipment.
Project description:Stimuli-responsive polymers are of great interest due to their ability to translate changing environmental conditions into responses in defined materials. One possibility to impart such behavior is the incorporation of optically active molecules into a polymer host. Here, we describe how sensor molecules that consist of a π-extended benzothiadiazole emitter and a naphthalene diimide quencher can be exploited in this context. The two optically active entities were connected via different spacers and, thanks to attractive intramolecular interactions between them, the new sensor molecules assembled into cyclic structures in which the fluorescence was quenched by up to 43% when compared to solutions of the individual dyes. Detailed spectroscopic investigations of the sensor molecules in solution show that the extent of donor/acceptor interactions is influenced by various factors, including solvent polarity and ion concentration. The new sensor molecule was covalently incorporated into a polyurethane; the investigation of the optical characteristics in both the solid and solvent-swollen states indicates that a stimulus-induced formation of associated dye pairs is possible in polymeric materials. Indeed, a solvatochromic quenching effect similar to the behavior in solution was observed for solvent-swollen polymer samples, leading to an effective change of the green emission color of the dye to a yellow color.