Monte Carlo phase diagram for diblock copolymer melts

The phase diagram for diblock copolymer melts is evaluated from lattice-based Monte Carlo simulations using parallel tempering, improving upon earlier simulations that used sequential temperature scans. This new approach locates the order-disorder transition (ODT) far more accurately by the occurrence of a sharp spike in the heat capacity. The present study also performs a more thorough investigation of finite-size effects, which reveals that the gyroid (G) morphology spontaneously forms in place of the perforated-lamellar (PL) phase identified in the earlier study. Nevertheless, there still remains a small region where the PL phase appears to be stable. Interestingly, the lamellar (L) phase next to this region exhibits a small population of transient perforations, which may explain previous scattering experiments suggesting a modulated-lamellar (ML) phase.

Modelling oil absorption during post-frying cooling - II: solution of the mathematical model, model testing and simulations

The mathematical models that describe the immersion-frying period and the post-frying cooling period of an infinite slab or an infinite cylinder were solved and tested. Results were successfully compared with those found in the literature or obtained experimentally, and were discussed in terms of the hypotheses and simplifications made. The models were used as the basis of a sensitivity analysis. Simulations showed that a decrease in slab thickness and core heat capacity resulted in faster crust development. On the other hand, an increase in oil temperature and boiling heat transfer coefficient between the oil and the surface of the food accelerated crust formation. The model for oil absorption during cooling was analysed using the tested post-frying cooling equation to determine the moment in which a positive pressure driving force, allowing oil suction within the pore, originated. It was found that as crust layer thickness, pore radius and ambient temperature decreased so did the time needed to start the absorption. On the other hand, as the effective convective heat transfer coefficient between the air and the surface of the slab increased the required cooling time decreased. In addition, it was found that the time needed to allow oil absorption during cooling was extremely sensitive to pore radius, indicating the importance of an accurate pore size determination in future studies.

The relationship between land–ccean surface temperature contrast and radiative forcing

Previous work has demonstrated that observed and modeled climates show a near-time-invariant ratio of mean land to mean ocean surface temperature change under transient and equilibrium global warming. This study confirms this in a range of atmospheric models coupled to perturbed sea surface temperatures (SSTs), slab (thermodynamics only) oceans, and a fully coupled ocean. Away from equilibrium, it is found that the atmospheric processes that maintain the ratio cause a land-to-ocean heat transport anomaly that can be approximated using a two-box energy balance model. When climate is forced by increasing atmospheric CO2 concentration, the heat transport anomaly moves heat from land to ocean, constraining the land to warm in step with the ocean surface, despite the small heat capacity of the land. The heat transport anomaly is strongly related to the top-of-atmosphere radiative flux imbalance, and hence it tends to a small value as equilibrium is approached. In contrast, when climate is forced by prescribing changes in SSTs, the heat transport anomaly replaces ‘‘missing’’ radiative forcing over land by moving heat from ocean to land, warming the land surface. The heat transport anomaly remains substantial in steady state. These results are consistent with earlier studies that found that both land and ocean surface temperature changes may be approximated as local responses to global mean radiative forcing. The modeled heat transport anomaly has large impacts on surface heat fluxes but small impacts on precipitation, circulation, and cloud radiative forcing compared with the impacts of surface temperature change. No substantial nonlinearities are found in these atmospheric variables when the effects of forcing and surface temperature change are added.

The role of oceans and sea ice in abrupt transitions between multiple climate states

The coupled climate dynamics underlying large, rapid, and potentially irreversible changes in ice cover are studied. A global atmosphere–ocean–sea ice general circulation model with idealized aquaplanet geometry is forced by gradual multi-millennial variations in solar luminosity. The model traverses a hysteresis loop between warm ice-free conditions and cold glacial conditions in response to ±5 W m−2 variations in global, annual-mean insolation. Comparison of several model configurations confirms the importance of polar ocean processes in setting the sensitivity and time scales of the transitions. A “sawtooth” character is found with faster warming and slower cooling, reflecting the opposing effects of surface heating and cooling on upper-ocean buoyancy and, thus, effective heat capacity. The transition from a glacial to warm, equable climate occurs in about 200 years. In contrast to the “freshwater hosing” scenario, transitions are driven by radiative forcing and sea ice feedbacks. The ocean circulation, and notably the meridional overturning circulation (MOC), does not drive the climate change. The MOC (and associated heat transport) collapses poleward of the advancing ice edge, but this is a purely passive response to cooling and ice expansion. The MOC does, however, play a key role in setting the time scales of the transition and contributes to the asymmetry between warming and cooling.

A statistical model for sea surface diurnal warming driven by numercial weather predictions fluxes and winds

A statistical model is derived relating the diurnal variation of sea surface temperature (SST) to the net surface heat flux and surface wind speed from a numerical weather prediction (NWP) model. The model is derived using fluxes and winds from the European Centre for Medium-Range Weather Forecasting (ECMWF) NWP model and SSTs from the Spinning Enhanced Visible and Infrared Imager (SEVIRI). In the model, diurnal warming has a linear dependence on the net surface heat flux integrated since (approximately) dawn and an inverse quadratic dependence on the maximum of the surface wind speed in the same period. The model coefficients are found by matching, for a given integrated heat flux, the frequency distributions of the maximum wind speed and the observed warming. Diurnal cooling, where it occurs, is modelled as proportional to the integrated heat flux divided by the heat capacity of the seasonal mixed layer. The model reproduces the statistics (mean, standard deviation, and 95-percentile) of the diurnal variation of SST seen by SEVIRI and reproduces the geographical pattern of mean warming seen by the Advanced Microwave Scanning Radiometer (AMSR-E). We use the functional dependencies in the statistical model to test the behaviour of two physical model of diurnal warming that display contrasting systematic errors.

Advancements in decadal climate predictability: the role of nonoceanic drivers

We review recent progress in understanding the role of sea ice, land surface, stratosphere, and aerosols in decadal-scale predictability and discuss the perspectives for improving the predictive capabilities of current Earth system models (ESMs). These constituents have received relatively little attention because their contribution to the slow climatic manifold is controversial in comparison to that of the large heat capacity of the oceans. Furthermore, their initialization as well as their representation in state-of-the-art climate models remains a challenge. Numerous extraoceanic processes that could be active over the decadal range are proposed. Potential predictability associated with the aforementioned, poorly represented, and scarcely observed constituents of the climate system has been primarily inspected through numerical simulations performed under idealized experimental settings. The impact, however, on practical decadal predictions, conducted with realistically initialized full-fledged climate models, is still largely unexploited. Enhancing initial-value predictability through an improved model initialization appears to be a viable option for land surface, sea ice, and, marginally, the stratosphere. Similarly, capturing future aerosol emission storylines might lead to an improved representation of both global and regional short-term climatic changes. In addition to these factors, a key role on the overall predictive ability of ESMs is expected to be played by an accurate representation of processes associated with specific components of the climate system. These act as “signal carriers,” transferring across the climatic phase space the information associated with the initial state and boundary forcings, and dynamically bridging different (otherwise unconnected) subsystems. Through this mechanism, Earth system components trigger low-frequency variability modes, thus extending the predictability beyond the seasonal scale.

Different strategies for improving summer thermal comfort in heavyweight traditional buildings

In order to exploit the passive energy potential of the building envelope, it is important to provide a right combination of insulation thickness, heat capacity and night-time ventilation. In this paper, this issue will be tackled with reference to an historic building in Catania (Southern Italy). The building was built at the end of the XIX century, and its opaque envelope is entirely made with lava stones, which is typical of traditional architecture in this area. Starting from the current configuration of the building, many hypotheses for refurbishment are considered, combined with different strategies for passive cooling, such as night-time ventilation, use of shading devices and adoption of highly-reflective coatings. The effectiveness of each solution in terms of summer thermal comfort is evaluated through dynamic thermal simulations carried out with EnergyPlus. The results show the synergic effect of these strategies, as well as their individual impact, and allow to draw some general conclusions about the behaviour of heavyweight buildings under moderately hot weather conditions.

2-(4,5,6,7-tetrafluorobenzimidazol-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl, a hydrogen-bonded organic quasi-1D ferromagnet

The title radical (F4BlmNN) is a stable nitronylnitroxide that forms hydrogen-bonded NH center dot center dot center dot ON chains in the solid state. The chains assemble the F4BlmNN molecules to form stacked contacts between the radical groups, in a geometry that is expected to exhibit ferromagnetic (FM) exchange based on spin polarization (SP) models. The experimental magnetic susceptibility of F4BlmNN confirms the expectation, showing 1-D Heisenberg chain FM exchange behavior over 1.8-300 K with an intrachain exchange constant Of J(chain)/k = +22 K. At lower temperatures, ac magnetic susceptibility and variable field heat capacity measurements show that F4BlmNN acts as a quasi-1-D ferromagnet. The dominant ferromagnetic exchange interaction is attributable to overlap between spin orbitals of molecules within the hydrogen-bonded chains, consistent with the SP model expectations. The chains appear to be antiferromagnetically exchange coupled, giving cusps in the ac susceptibility and zero field heat capacity at lower temperatures. The results indicate that the sample orders magnetically at about 0.7 K. The magnetic heat capacity ordering cusp shifts to lower temperatures as external magnetic field increases, consistent with forming a bulk antiferromagnetic phase below a Neel temperature of T-N(0) = 0.72 K, with a critical field of H-c approximate to 1800 Oe. The interchain exchange is estimated to be zJ/k congruent to (-)0.1 K.

Prigogine-Defay Ratio for an Ionic Glass-Former: Molecular Dynamics Simulations

The pressure dependence of the glass-transition temperature, T(g)(P), of the ionic glass-former 2Ca(NO(3))(2) center dot 3KNO(3), CKN, has been obtained by molecular dynamics (MD) simulations The liquid-glass difference of thermal expansivity, Delta alpha, heat capacity, Delta C(p), and isothermal compressibility, Delta kappa, have been calculated as a function of pressure. It has been found that the Ehrenfest relation dT(g)/dP = TV Delta alpha/Delta C(p) predicts the pressure dependence of T, but the other Ehrenfest relation, dT(g)/dP = Delta kappa/Delta alpha, does not. Consequently, the Prigogine-Defay ratio, Pi = Delta C(p)Delta kappa/TV Delta alpha(2), is Pi similar to 1.2 at low pressures, but increases 1 order of magnitude at high pressures. The pressure dependence of the Prigogine-Defay ratio is interpreted in light of recent explanations for the finding Pi > 1.

Pressure Perturbation Calorimetry and Guest-Host Chemistry of NDMG and N-MAP with p-Sulfonatocalix[6]arene

The aim of this project is to provide an explanation for recently obtained binding constants for two similar guest molecules, NDMG and N-MAP, with a p-sulfonatocalix[6]arene host in ammonium acetate buffer. This work was done primarily using pressure perturbation calorimetry, which is a technique that determines the coefficient of thermal expansion, α, which is in turn related to the solute molecule's effect on the order of the surrounding water molecules. A series of experiments were designed to test the effects of suspected confounding variables on the validity of PPC data. PPC was then used to study NDMG and N-MAP in ammonium acetate buffer. NDMG exhibited a minimum in α as function of temperature, while N-MAP did not. This difference was theorized to be due to the formation of an intramolecular hydrogen bond in monocationic NDMG that would lower the heat capacity of the molecule and better distribute the molecule's charge. Computational work and nuclear magnetic resonance spectroscopy confirmed that monocationic, ring-closed NDMG has less concentrated charge and more constrained motion than monocationic, ring-open NDMG. This evidence supports the theory that monocationic NDMG forms an intramolecular hydrogen bond and that this may be responsible for the minimum in α. This difference may explain the differences in binding constants between NDMG and N-MAP.

Estudo do comportamento plástico, mecânico, microestrutural e térmico do concreto produzido com resíduo de porcelanato

Population growth experienced in major cities, allied to society s need of infra-structure, especially ones related to habitational demands, increases the consumption of construction materials. As a consequence, consumption of natural resources itself. Thus, due to this process, concrete is one of the most produced materials in civil construction. This is also due to the great diversity of its application, easiness in its execution and adequate mechanical performance, as well as low production costs. Following the same tendencies in construction development, the ceramic industry has intensified the production of porcelain ceramic tiles and floors. These are achieved by a fine finishing and receive polishing at the end of the fabrication process. This work researched the use of porcelain residues in polishing for the production of concrete. All of which; due to economical and environmental issues. This process aims to prove adequate destiny for this type of residue, due to environmental issues, incorporating it to the concrete itself; all of which provides economy in consumption of the materials that constitute concrete. Thus, the main characteristics of concrete were investigated through the inclusion of different concentration of the porcelain residue as additional trait element. The residue rates incorporated to the trait varied from 10% to 50% in relation to the cement mass, in the traits with plastic additives and without plastic additives. It is observed that the inclusion of porcelain residue produced a meaningful alteration in the consistency of fresh concrete. This residue has a fine granulometry and it considerably absorbed the water used in the concrete spreading, influencing the way this material is dealt with. Thus, the value of cement striking decreases with the increase of residues present in trait. The maximal incorporation of the residue was of 50%, massively, for the same factor water/initial cement. The use of residues in concrete results in an 40% increase in the compression resistance. It is also proportional to residue concentration of porcelain in the trait. The microstructure was also favored once porosity and concrete absorption decreases with the use of this residue. The parameters demonstrate the quality and durability of the concrete produced with this residue. The use of porcelain residue in concrete composition has not produced meaningful thermal behavior changes. Thermal conductivity, heat capacity and thermal diffusivity have been maintained basically constant

Fibras de sisal (Agave sisalana) como isolante térmico de tubulações

In the last decades there was a significant increasing of the numbers of researchers that joint efforts to find alternatives to improve the development of low environmental impact technology. Materials based on renewable resources have enormous potentials of applications and are seen as alternatives for the sustainable development. Within other parameters, the sustainability depends on the energetic efficiency, which depends on the thermal insulation. Alternative materials, including vegetal fibers, can be applied to thermal insulation, where its first goal is to minimize the loss of energy. In the present research, it was experimentally analyzed the thermal behavior of fiber blankets of sisal (Agave sisalana) with and without surface treatment with oxide hidroxide (NaOH). Blankets with two densities (1100/1200 and 1300/1400 g/m2) were submitted to three rates of heat transfer (22.5 W, 40 W and 62.5 W). The analysis of the results allowed comparing the blankets treated and untreated in each situation. Others experiments were carried out to obtain the thermal conductivity (k), heat capacity (C) and the thermal diffusivity (α) of the blankets. Thermo gravimetric analyses were made to the verification of the thermal stability. Based on the results it was possible to relate qualitatively the effect of the heat transfer through the sisal blankets subjected to three heat transfer rates, corresponding to three temperature values (77 °C, 112 °C e 155 °C). To the first and second values of temperature it was verified a considerable reduction on the rate of heat transfer; nevertheless, to the third value of temperature, the surface of the blankets (treated and untreated) in contact with the heated surface of the tube were carbonized. It was also verified, through the analyses of the results of the measurements of k, C e α, that the blankets treated and untreated have values near to the conventional isolating materials, as glass wool and rock wool. It could be concluded that is technically possible the use of sisal blankets as constitutive material of thermal isolation systems in applications where the temperature do not reach values greater than 112 ºC

Compósito de poliuretano de mamona e vermiculita para isolação térmica

They are in this study the experimental results of the analysis of thermal performance of composite material made from a plant matrix of polyurethane derived from castor oil of kernel of mamona (COF) and loading of clay-mineral called vermiculite expanded. Bodies of evidence in the proportions in weight of 10%, 15% and 20% were made to determine the thermal properties: conductivity (k), diffusivity (ά) and heat capacity (C), for purposes of comparison, the measurements were also performed the properties of polyurethane of castor without charge and also the oil polyurethane (PU), both already used in thermal insulation. Plates of 0.25 meters of material analyzed were manufactured for use as insulation material in a chamber performance thermal coverage. Thermocouples were distributed on the surface of the cover, and inside the material inside the test chamber and this in turn was subjected to artificial heating, consisting of a bank of incandescent lamps of 3000 w. The results obtained with the composite materials were compared with data from similar tests conducted with the camera alone with: (a) of oil PU, (b) of COF (c) glass wool, (d ) of rock wool. The heat resistance tests were performed with these composites, obtaining temperature limits for use in the range of 100 º C to 130 º C. Based on the analysis of the results of performance and thermal properties, it was possible to conclude that the COF composites with load of expanded vermiculite present behavior very close to those exhibited by commercial insulation material

Composito de poliuretano de mamona e residuo industrial para isolacao termica e absorcao sonora

This work proposes the development of an innovative material made from a vegetable polyurethane matrix and load of industrial waste, from retread tires, for thermal insulation and environmental comfort. Experimental procedures are presented, as well as the results of the thermal and acoustic performance of this composite material, made from an expansive foam derived from the castor seed oil and fiber of scrap tires. The residue was treated superficially with sodium hydroxide, to eliminate contaminants, and characterized macroscopically and microscopically. Samples were produced with addition of residues at levels of 5%, 10%, 15% and 20% by weight, for determination of thermal properties: conductivity, heat capacity and thermal diffusivity, sound absortion index and density. The results were compared to commercially available thermal insulation and sound absorbing products. According to the analysis of results, it was concluded that the developed composite presents characteristics that qualify it as a thermal insulation with superior performance, compared to commercial available insulation, and sound absorption capacity greater than the castor oil polyurethane s, without addition of the residue

Ecological impacts from syngas burning in internal combustion engine: Technical and economic aspects

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)