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At least 127 records · Page 7

Thermal performance and energy consumption validation of an occupied local government office building outfitted with ceiling tile phase change materials

Buildings present an opportunity for energy conservation and the modulation of peak energy demand through controlled Heating, Ventilation, and Air Conditioning (HVAC) energy use. The administrative and office building stock in the United States holds potential to achieve energy and demand savings through retrofits such as insulation, weatherization, and thermal energy storage. Specifically, there is a need to validate passive phase change material (PCM) applications in full scale in aging administrative buildings in the US to evaluate the energy benefits. Aim of this study was to conduct a whole building level thermal and energy validation of an operational building and explore an alternative method for evaluating energy efficiency. To accomplish this, the study employed PCMs in the drop ceiling and carry out an energy audit and on-site measurement of HVAC systems' energy demand and consumption. A full-scale EnergyPlus energy model, modeled by the authors, served as a baseline for evaluation. The results show that calibrated model's envelope temperature measures fall within the accepted errors. HVAC energy simulation results also fall within the accepted errors for monthly and hourly pre- and post- PCM retrofit electricity and natural gas data. The novelty of this study is that it employees energy scales per Heating Degree Hour and Cooling Degree Hour, in contrast to the commonly used Heating Degree Days and Cooling Degree Days as reported in the literature to analyze energy savings. These findings underscore the pivotal role of a calibrated model in assessing the efficacy of a singular energy measure, like a PCM-retrofitted ceiling, in an occupied office building.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Finned-tube-integrated modular thermal storage systems for HVAC load modulation in buildings

While there is considerable focus on latent-based thermal energy storage (TES) systems, the low thermal conductivity of phase change materials (PCMs) remains a critical concern. Many approaches to enhance PCM conductivity either require complicated synthesis processes or are cost prohibitive. In this study, we investigate finned-tube modular TES systems, which are simple in design, easy to manufacture, and cost-effective due to their standard materials and components. The study includes detailed modeling and experimentation of two devices containing similar amounts of PCM but different fin spacings. The study reveals that having more fins does not necessarily increase the TES thermal performance because the reduction in the PCM volume fraction can reduce the TES volumetric and specific energy densities. We find that larger fin spacings provide a higher specific energy for lower C rates (<1C), while smaller fin spacings provide a higher specific energy for higher C rates (>1C).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Demonstration and characterization of insertable passive thermal switches for dynamic building envelopes

A dynamic building envelope integrated with thermal energy storage, such as phase change material (PCM), is an emerging technology that offers a promising solution to improve the energy efficiency of buildings. This study reports the development of insertable thermal switches, which modulate thermal resistance, thereby making building envelopes dynamic and enhancing the use of free ambient heating and cooling. The reported thermal switches are passive, meaning they work solely based on indoor and outdoor temperatures. A single switch when inserted into 10 × 10-in (0.064-m 2 ) XPS foam board insulation demonstrates effective thermal conductivity of 0.050 W/m-K in the resistive state and 0.285 W/m-K in the conductive state. Thermal switches exhibit an effective switching ratio of 5.7, with no noticeable degradation in performance over 770 cycles. Additionally, when integrated into a wall sample containing a PCM layer, switches significantly reduce the PCM solidification time by 43.2% during the cooling process.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Sumner County Field Validation: An Assessment of Thermal Energy Storage in Municipal Buildings in Mixed-Humid Climates

The overall aim of the project was to conduct a full-scale implementation of TES in an operational administrative building in Sumner County, Kansas with a special focus of phase change material (PCM) passive implementation in the ceiling envelope. PCM was used with the intention of increasing the ability of public buildings to shift the peak HVAC energy demand and consumption. The study was conducted during the span of three years in 3 phases, (i) phase I: energy audit (pre-retrofit) (ii) phase II: ceiling tile installation (PCM retrofit), and (iii) phase III: energy evaluation (post-retrofit). Temperature and HVAC energy measurements as well as weather data collected is used for an extensive validation study and further parametric assessment to find (a) annual HVAC energy savings (b) peak period electricity and load savings focusing on cooling dominant months of the year.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Optimization of Preparation Method, Nucleating Agent, and Stabilizers for Synthesizing Calcium Chloride Hexahydrate (CaCl2.6H2O) Phase Change Material

This study investigates improvements in low-cost latent heat storage material calcium chloride hexahydrate (CaCl2.6H2O). Its melting point is between 25 and 28 °C, with relatively high enthalpy (170–190 J/g); however, this phase change material (PCM) shows supercooling and phase separation. In CaCl2.6H2O incongruent melting causes lower hydrates of CaCl2 to form, which affects the overall energy storage capacity and long-term durability. In this work, PCM performance enhancement was achieved by adding SrCl2.6H2O as a nucleating agent and NaCl/KCl as a stabilizer to prevent supercooling and phase separation, respectively. We investigated the PCM preparation method and optimized the proportions of SrCl2.6H2O and NaCl/KCl. Thermal testing for 25 cycles combined with DSC and T-history testing was performed to observe changes in enthalpy, phase transitions and supercooling over the extended period of usage. X-ray diffraction was used to verify crystalline structure in the compounds. It was found that the addition of 2 wt.% of SrCl2.6H2O reduced supercooling from 12 °C to 0 °C compared to unmodified CaCl2.6H2O. The addition of 5 wt.% NaCl or KCl proved to effectively suppress separation and the melting enthalpy achieved was 169 J/g–178 J/g with congruent melting over 25 cycles, with no supercooling and almost no reduction in the latent heat.

42 ENGINEERING↗

How Aqueous Solvation Impacts the Frequencies and Intensities of Infrared Absorption Bands in Flavin: The Quest for a Suitable Solvent Model

FTIR spectroscopy accompanied by quantum chemical simulations can reveal important information about molecular structure and intermolecular interactions in the condensed phase. Simulations typically account for the solvent either through cluster quantum mechanical (QM) models, polarizable continuum models (PCM), or hybrid quantum mechanical/molecular mechanical (QM/MM) models. Recently, we studied the effect of aqueous solvent interactions on the vibrational frequencies of lumiflavin, a minimal flavin model, using cluster QM and PCM models. Those models successfully reproduced the relative frequencies of four prominent stretching modes of flavin’s isoalloxazine ring in the diagnostic 1450–1750 cm−1 range but poorly reproduced the relative band intensities. Here, we extend our studies on this system and account for solvation through a series of increasingly sophisticated models. Only by combining elements of QM clusters, QM/MM, and PCM approaches do we obtain an improved agreement with the experiment. The study sheds light more generally on factors that can impact the computed frequencies and intensities of IR bands in solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Design of Phase-Change Thermal Storage Device in a Heat Pump for Building Electric Peak Load Shaving: Preprint

Replacing carbon-intensive fossil fuel heating systems with electric heat pumps powered by renewables is a promising approach to decarbonize the building sector. However, one of the technical barriers of this approach is the large scale of heat demand, which will put excessive stress on the electricity grid. Integrating thermal energy storage (TES) into the heating systems can help alleviate this problem, by shifting thermal load and thus shaving peaks in the building electric load. Therefore, it is critical to understand how to design a thermal storage device in a heat pump for peak load shaving. In this study, we developed a numerical model for a cascaded vapor compression heat pump system integrating a phase change thermal storage device. This novel system can control the net thermal charging and discharging rate of the TES independently from the building's thermal load, which allows for precise control of electric power use. In the current study, we controlled the system to shave building electric peak load during a cold winter morning, and to charge TES during the relatively warm afternoon while still providing space heating. We used the model to evaluate the system performance with and without peak shaving. We also investigated the effect of PCM transition Tt on the peak reduction and electric energy saving potentials. The results show that peak shaving scheme effectively reduces the peak electric power consumption during a predefined discharge time window. When comparing to the no shaving case, for PCM Tt = 10 degrees C, the peak electric load reduction is 23.5%. When comparing to an air-source heat pump with back up electric heater, as Tt increases from 0 to 20 degrees C, the peak reduction increases from 46.1% to 50.9%. Integrating PCM Tt = 10 degrees C with peak shaving leads to the 45.5% of electric energy saving, which is the highest among the three transition temperatures.

electric energy saving↗

Unveiling real‐time crystallization with nucleators and thickeners for zinc nitrate hexahydrate as a phase change material

Abstract The primary challenge of salt hydrates as phase change materials (PCMs) is their high degree of supercooling (∆ T Sup ). Past studies have attempted to alleviate ∆ T Sup by incorporating nucleators possessing similar lattice structure, without a thorough analysis of the nucleator/PCM interactions. This work presents a novel in‐operando study to visually observe the crystallization process of zinc nitrate hexahydrate (ZNH) in real‐time using suitable nucleators and a thickener. We have introduced a new dataset where zinc acetate dihydrate (ZnAc.2H) has been employed as an additive to ZNH for thermal energy storage (TES). According to our in‐operando study, ZnAc.2H underwent hydrolysis in molten ZNH to precipitate needle‐like ZnO particles, which acted as nucleators for the PCM. In the absence of a thickener, the crystal propagation of ZNH exhibited a preferential directional tendency, whereas incorporation of thickener made the phase change process uniform along all directions. Self‐hydrolysis of ZnAc.2H generated excess water which caused the undesirable effect of broadening the endothermic peak. The addition of carboxymethyl cellulose (CMC) thickener could restrict the activity of excess water and reduce the broadening of the endothermic peak. Differential scanning calorimetry (DSC) revealed that 5 wt% ZnAc.2H additive and 2 wt% CMC thickener added to ZNH can considerably improve the TES properties of ZNH PCM (∆ H Fusion 125.9 J·g −1 , ∆ T Sup 3.0°C, melting point [M.P.] 29.0°C). Our in‐operando studies can unveil real‐time phase change behaviors to better design PCM systems with desired characteristics.

Chakraborty, Anirban↗

Fused filament fabrication of thermoplastic polyurethane composites with microencapsulated phase-change material

Here, the present study examines the thermal energy storage (TES) effectiveness and printability of microencapsulated phase-change material (MEPCM) combined with thermoplastic polyurethane (TPU) for fused filament fabrication (FFF). Two formulations were assessed: 24D MEPCM, which changes phase at 24 ° C, compounded with TPU pellets and 43D MEPCM, which changes phase at 43 ° C, integrated with TPU powder. These combinations are designed to evaluate the effectiveness of the form of the TPU (pellets versus powder) in the FFF process. The investigation includes a comprehensive analysis of thermal characteristics, encompassing phase-change temperature, latent heat of fusion, thermal conductivity, and thermal decomposition, which are assessed through differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). Additionally, mechanical properties, including stress-strain behavior, are examined to evaluate material suitability for TES applications, while microstructural visualization is used to provide deeper insights into material performance, structural integrity, and the quality of printed components. The 24D MEPCM and TPU pellets formulation experienced a significant loss of approximately 39.6% of PCM during filament extrusion and printing, resulting in a reduced effective latent heat. Therefore, further characterization of the pellet formulation was discontinued due to excessive leakage. In contrast, the 43D MEPCM and TPU powder formulation demonstrated minimal PCM loss, with the 60 wt.% composition achieving an effective latent heat of 132 J/g. This value represents the highest effective latent heat currently documented in the literature for PCM-polymer-composite materials produced using an FFF-based additive manufacturing process.

25 ENERGY STORAGE↗

A first principles framework to predict the transient performance of latent heat thermal energy storage

Thermal energy storage (TES) is increasingly recognized as an essential component of efficient Combined Heat and Power (CHP), Concentrated Solar Power (CSP), Heating Ventilation and Air Conditioning (HVAC), and refrigeration as it reduces peak demand while helping to manage intermittent availability of energy (e.g., from solar or wind). Latent Heat Thermal Energy Storage (LHTES) is a viable option because of its high energy storage density. Parametric analysis of LHTES in terms of dimensionless numbers is highly desired as a tool to model LHTES systems. One approach is to develop a model equation so as to minimize the error between the model and data obtained from experiments or simulations. While this approach can produce an accurate correlation applicable within the range of data used for its creation, it does not provide physical understanding of the rate-limiting process controlling the transient behavior of the device. In this paper we present an alternative approach whereby the potential rate-limiting processes are identified from first principles and then the key process is determined as a function of time as a LHTES device is charged. For example, in a simple geometry, the melt-fraction can be expected to vary linearly in time if the heat transfer rate is limited by natural convection of the phase changing material and we show it scales with the PCM Grashof number as $Gr^1_p$ and PCM Prandtl number as $Pr_p^{(1/3)}$. On the other hand, if surface area of solid PCM limits the heat transfer rate, the melt fraction increases asymptotically to reach full melting. The existence of these linear and asymptotic regions and the $Gr^1_pP r^{1/3}_p$ shape of the melt fraction curve is verified using our database of 64 simulations. Of practical importance in designing LHTES devices is the melt fraction at which the heat transfer rate ceases to be limited by convection, after which the heat storage rate deteriorates. For our geometry, this is found to be about 90%. This test case of our methodology shows the value of our approach, that predicting heat storage rate based on the rate-limiting physical phenomenon as a function of time is an effective approach to modeling LHTES devices.

25 ENERGY STORAGE↗

Processing of phase change materials by fused deposition modeling: Toward efficient thermal energy storage designs

We report that recently, several efforts have emerged that employ additive manufacturing techniques to integrate phase change material (PCM) thermal energy storage into geometrically complex designs for advanced thermal management. In this work, we contribute to this emerging research by reporting on the production of a composite nylon-based filament for fused deposition modeling incorporating encapsulated PCMs for 3D printing heat sink geometries. Microencapsulated PCM (MEPCM) with a 6 degrees C transition temperature was selected as the material for thermal energy storage. This transition temperature was selected due to its suitability to provide thermal energy storage to target air-conditioning applications in buildings. In an attempt to improve the thermal conductivity of the composite, fine boron nitride fillers were added, although the effect on improvement was found to be negligible in the overall composite mixture. The nylon-MEPCM ratio in the filaments was optimized, and filaments containing up to 40 wt% MEPCM were successfully synthesized, which were found optimal for 3D printing complex heat sink and other geometries. Thermal and mechanical properties of the filaments were characterized, including latent heat of fusion, thermal conductivity, phase change temperature, tensile strength, and more. Thermal infrared imaging of heat sink geometries printed using the MEPCM filaments undergoing thermal discharging was also conducted. This work presents the most promising result to date in the open literature for a 3D-printed PCM composite in the combination of size, energy density, and geometric complexity of printed parts.

25 ENERGY STORAGE↗

Stabilizing a low temperature phase change material based on Glaubers salt

The aim of this research is to enhance the performance of Glauber's salt (sodium sulfate decahydrate, SSD) as a phase change material (PCM) for thermal energy storage applications, as well as for shipping of temperature-sensitive materials. The study investigates the effects of modifying SSD with potassium chloride (KCl) and ammonium chloride (NH 4 Cl) to achieve lower phase transition temperatures of between +6 °C and + 13 °C. Sodium polyacrylate (PAAS) is employed as a thickening agent to prevent phase separation, and borax is used as a nucleating agent to suppress supercooling. Various ratios of KCl:NH 4 Cl are tested, and the impact of PAAS concentration on phase segregation is explored. The results show that a 2 wt% concentration of PAAS effectively prevents phase separation. Samples with a KCl:NH 4 Cl ratio of 1:1.83 exhibit stable phase transition behavior and maintain latent heat values within the range of 130–140 J/g after 30 thermal cycles. Maintaining a total KCl and NH 4 Cl proportion of 10 wt% is crucial to achieve the desired lower melting temperature. As a result, the study highlights the significance of thermal cycling in improving the stability of the PCM. The optimized SSD-based eutectic PCM formulations hold promise for applications in the cold chain industry.

25 ENERGY STORAGE↗

Random copolymer of poly(polyethylene glycol methyl ether)methacrylate as tunable transition temperature solid-solid phase change material for thermal energy storage

Polymer based phase change materials (PCM) for thermal energy storage (TES) applications have gained some attention recently due to their high stability and potential solid to solid phase transition. In this work, we are the first to utilize a simple copolymerization strategy for static tunability transition temperature (T t ) of polymeric PCM. The copolymerization between short and long side chain polyethylene glycol based methacrylate polymers was designed to tune T t with minimum impact on their energy density. Polarized optical microscope and x-ray techniques were also used to understand the relationship between crystal structure and T t of different copolymer composition which was discussed in the context. The solid to solid transition polymeric PCM were successfully developed with tunable T t ranged from 18 °C to 35 °C which is suitable toward building envelop applications.

14 SOLAR ENERGY↗

Hydrated Anions: From Clusters to Bulk Solution with Quasi-Chemical Theory

The interactions of hydrated ions with molecular and macromolecular solution and interface partners are strong on a chemical energy scale. Here we recount the foremost ab initio theory for the evaluation of the hydration free energies of ions, namely, quasi-chemical theory (QCT). We focus on anions, particularly halides but also the hydroxide anion, because they have been outstanding challenges for all theories. For example, this work supports understanding the high selectivity for F – over Cl – in fluoride-selective ion channels despite the identical charge and the size similarity of these ions. QCT is built by the identification of inner-shell clusters, separate treatment of those clusters, and then the integration of those results into the broader-scale solution environment. Recent work has focused on a close comparison with mass-spectrometric measurements of ion-hydration equilibria. We delineate how ab initio molecular dynamics (AIMD) calculations on ion-hydration clusters, elementary statistical thermodynamics, and electronic structure calculations on cluster structures sampled from the AIMD calculations obtain just the free energies extracted from the cluster experiments. That theory–experiment comparison has not been attempted before the work discussed here, but the agreement is excellent with moderate computational effort. This agreement reinforces both theory and experiment and provides a numerically accurate inner-shell contribution to QCT. The inner-shell complexes involving heavier halides display strikingly asymmetric hydration clusters. Asymmetric hydration structures can be problematic for the evaluation of the QCT outer-shell contribution with the polarizable continuum model (PCM). Nevertheless, QCT provides a favorable setting for the exploitation of PCM when the inner-shell material shields the ion from the outer solution environment. For the more asymmetrically hydrated, and thus less effectively shielded, heavier halide ions clustered with waters, the PCM is less satisfactory. We therefore investigate an inverse procedure in which the inner-shell structures are sampled from readily available AIMD calculations on the bulk solutions. This inverse procedure is a remarkable improvement; our final results are in close agreement with a standard tabulation of hydration free energies, and the final composite results are independent of the coordination number on the chemical energy scale of relevance, as they should be. Finally, a comparison of anion hydration structure in clusters and bulk solutions from AIMD simulations emphasize some differences: the asymmetries of bulk solution inner-shell structures are moderated compared with clusters but are still present, and inner hydration shells fill to slightly higher average coordination numbers in bulk solution than in clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Alginate–Sodium Sulfate Decahydrate Phase Change Composite with Extended Stability

Here, this study reports on the use of sodium alginate to effectively stabilize sodium sulfate decahydrate (Na 2 SO 4 ∙10H 2 O, SSD) based phase change material (PCM) for application as a thermal energy storage material. Alginate/SSD composite PCMs were prepared by blending SSD with different concentrations of alginate polymer. The resulting composite PCMs demonstrate high phase change enthalpy ~160 J/g and extended cycling stability compared to existing PCM composites. The analysis carried out by optical microscopy, X-ray scattering, and periodic density functional theory (DFT) calculations demonstrated that the stabilization effect was caused by the interplay between ionic and hydrogen bond interactions between the alginate and SSD. Additionally, the variation in mechanical properties of PCM composites with polymer concentrations made it possible to formulate a composite that maintains stable performance after 3D printing. The advanced properties make this composite a promising candidate for application as a thermal energy storage material.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling of the Molten Salt Reactor Experiment with SCALE

A SCALE model was developed for the Molten Salt Reactor Experiment (MSRE) benchmark that was recently added to the International Handbook of Evaluated Reactor Physics Benchmark Experiments. This SCALE model served as a basis for criticality calculations and nuclear data sensitivity and uncertainty analyses with the Monte Carlo code Shift and the TSUNAMI computational capabilities in the SCALE code system. The focus of this work is the assessment of the impact of nuclear data on the calculated eigenvalue results in support of the discussion of differences between the calculated and the experimental eigenvalue result. The differences in the eigenvalues obtained using the ENDF/B-VII.0, ENDF/B-VII.1, and ENDF/B-VIII.0 nuclear data libraries cover a relatively small range of ~230 pcm. Since eigenvalue sensitivity of the MSRE is dominated by the neutron multiplicity and neutron capture of 235 U and elastic scattering in graphite, relevant changes in the ENDF/B libraries for nuclear reactions (such as carbon capture) that caused large differences in other graphite-moderated systems did not have a significant impact. Propagation of nuclear data uncertainty results in an eigenvalue uncertainty of ~700 pcm with the major contributors being 235 U neutron multiplicity, graphite elastic scattering, and 7Li neutron capture. All calculations resulted in large differences of ~2000 pcm in eigenvalue compared to the benchmark experimental value. Several potential contributors to this difference—including uncertainties and gaps in the knowledge of the material, geometry, and nuclear data—were identified. Simplified models of the full MSRE core were developed, and similarity assessments were conduced with the full MSRE core model. It was found that simplified models can serve as adequate surrogates of the full-core model such that they can be used for performing selected nuclear data performance assessments with a lower computational burden.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Mechanical and Thermal Characterization of Phase-Change Material and High-Density Polyethylene Functional Composites for Thermal Energy Storage

Abstract Phase-change materials (PCMs) can be used to develop thermal energy storage systems as they absorb large amount of latent heat nearly at a constant temperature when changing phase from a solid to a liquid. To prevent leakage when in a liquid state, PCM is shape stabilized in a polymer matrix of high-density polyethylene (HDPE). The present research explores the injection-molded mechanical and thermal properties of different PCM/HDPE composite ratios. The tensile strength and modulus of elasticity at room temperature and with the PCM fully melted within the composite are measured. Additionally, the hardness, latent heat of fusion, phase-change temperature, and thermal conductivity are investigated. An analysis of microstructures of the composite is used to support the findings. The PCM within the PCM/HDPE composite gives it the benefit of thermal storage but causes a decrease in mechanical properties.

Energy & Fuels↗

High Power Density Thermal Energy Storage With Phase Change Material in Enhanced Compact Heat Exchangers

Abstract Performance of a novel ultracompact thermal energy storage (TES) heat exchanger, designed as a microchannel finned-tube exchanger is presented. With water as the heating–cooling fluid in the microchannels, a salt hydrate phase change material (PCM), lithium nitrate trihydrate (LiNO3 · 3H2O), was encased on the fin side. To establish the hypothesis that small-length-scale encasement (<3 mm) of PCM substantially enhances heat transfer to yield very high power-density energy storage, heat exchanger designs with 10 and 24 fins/inch were considered. They were subjected to thermal cycling, or repeated heating (melting) and cooling (freezing), with inlet fluid flow mimicking diurnal variation between 42 °C and 25 °C (representing typical arid-region conditions) over an accelerated time period. By employing salt self-seeding to obviate subcooling during cooling or recrystallization, the TES was found to exhibit stable long-term (100 heating–cooling cycles) operation with very high PCM-side heat transfer coefficients (∼100–500 W/m2 K) and storage power density (∼160–175 kW/m3). In fact, with optimization of heating–cooling fluid flowrate for given charging–discharging time period and exchanger size, power density >300 kW/m3 can be achieved. The results clearly establish that highly compact heat exchangers used as TES units can provide very high-performance alternatives to conventional ones.

Engineering↗