Engineering topics
Publications and source records attributed to Sun, Jian.
The present invention provides for novel protic ionic liquids (PIL) or phosphate-based ionic liquid (PBIL) useful for lignocellulosic processing described herein. The novel protic ionic liquids are capable of pretreatment of lignocellulosic biomass over a wide range of pH.
The Hewlett Packard Enterprise–Cray EX Frontier is the world’s first and fastest exascale supercomputer, hosted at the Oak Ridge Leadership Computing Facility in Tennessee, United States. Frontier is a significant electricity consumer, drawing 8–30 MW; this massive energy demand produces significant waste heat, requiring extensive cooling measures. Although harnessing this waste heat for campus heating is a sustainability goal at Oak Ridge National Laboratory (ORNL), the 30 °C–38 °C waste heat temperature poses compatibility issues with standard HVAC systems. Heat pump systems, prevalent in residential settings and some industries, can efficiently upgrade low-quality heat to usable energy for buildings. Thus, heat pump technology powered by renewable electricity offers an efficient, cost-effective solution for substantial waste heat recovery. However, a major challenge is the absence of benchmark data on high-performance computing (HPC) heat generation and waste heat profiles. This paper reports power demand and waste heat measurements from an ORNL HPC data centre, aiming to guide future research on optimizing waste heat recovery in large-scale data centres, especially those of HPC calibre.
Aerosol effects on clouds and radiation are the dominant contribution to uncertainty in radiative forcing relative to the pre-industrial atmosphere. While previous studies have assessed the impact of parametric uncertainty on modeled forcing, structural errors from the numerical representation of particle distributions have not been well quantified. Here we present a framework for quantifying error in aerosol size distributions and cloud condensation nuclei activity, which we apply to the widely used 4-mode version of the Modal Aerosol Module (MAM4). Box model predictions from the MAM4 are evaluated against the Particle Monte Carlo Model for Simulating Aerosol Interactions and Chemistry (PartMC-MOSAIC), a benchmark model that tracks the evolution of individual particles. We show that size distributions simulated by MAM4 diverge from those simulated by PartMC-MOSAIC after only a few hours of aging by condensation and coagulation in polluted conditions, which leads to large errors in modeled cloud condensation nuclei concentrations. We find that differences between MAM4 and PartMC-MOSAIC are largest under polluted conditions, where the size distribution evolves rapidly though aging by condensation of semi-volatile substances and coagulation among particles. These findings suggest that structural error in modeled aerosol properties contributes to the large inter-model variability in aerosol radiative forcing.
Machine learning potential (MLP) has been a popular topic in recent years for its capability to replace expensive first-principles calculations in some large systems. Meanwhile, message passing networks have gained significant attention due to their remarkable accuracy, and a wave of message passing networks based on Cartesian coordinates has emerged. However, the information of the node in these models is usually limited to scalars, and vectors. In this work, we propose High-order Tensor message Passing interatomic Potential (HotPP), an E(n) equivariant message passing neural network that extends the node embedding and message to an arbitrary order tensor. By performing some basic equivariant operations, high order tensors can be coupled very simply and thus the model can make direct predictions of high-order tensors such as dipole moments and polarizabilities without any modifications. The tests in several datasets show that HotPP not only achieves high accuracy in predicting target properties, but also successfully performs tasks such as calculating phonon spectra, infrared spectra, and Raman spectra, demonstrating its potential as a tool for future research.
This study evaluates the feasibility of using ground-source heat pumps (GSHPs) integrated with water wells for residential heating demands in cold regions of the United States. Four different heat pump systems were evaluated and compared: a CO 2 air-source heat pump (ASHP), a R-410A ASHP, a CO 2 GSHP integrated with well water, and a R-410A GSHP integrated with well water. Simulations were conducted at both equipment and building integration levels, followed by a nationwide analysis across 10 selected cities. Results indicate that integrating GSHP technology with existing water wells (e.g., artesian, bedrock, drilled, and collector wells) is a feasible heating solution because of their high flow rates, good water quality, stable temperatures, and low environmental impact. Although R-410A systems demonstrate higher efficiency, CO 2 systems are more suitable for heating from contamination-free and energy security perspective. The CO 2 GSHPs maintain better performance in colder climates compared with that of ASHPs, providing higher coefficient of performance and environmental benefits because CO 2 refrigerant leakage would not contaminate well water. A national analysis confirms that CO 2 GSHPs outperform furnaces, especially in cold climates, making them a promising solution for residential heating.
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Heat pumps have been sought as a promising technology for air and water heating processes in buildings. Several OEMs have been commercializing heat pumps with varying capacities; However, the application has been limited to lower temperatures (less than 70℃). With the recently growing interest in replacing gas-fired equipment for buildings and industrial processes, a new class of heat pumps, known as high-temperature heat pumps, is gaining substantial interest where the target temperatures are higher than the conventional heat pump technology (greater than 90℃). The current study is focused on this class of heat pumps and aims to provide a holistic overview of state-of-the-art technology while highlighting major challenges and opportunities. The discussion will be focused on the availability of technology to enable higher sink temperatures, deployment-based applications, waste heat recovery, and process integration and controls.
High-temperature heat pumps are a prospective technology for electrifying and decarbonizing industrial drying processes. This study investigates the technological potential of HTHPs in replacing fossil-fuel burners or steam boilers in industrial spray dryers. The performance of HTHPs with three configurations was investigated, including high high-temperature heat pump boosted with an electric air heater, a steam-generating high-temperature heat pump with multi-stage mechanical vapor compressions, and transcritical high-temperature heat pumps. R1336mzz(Z) is used as the refrigerant in both subcritical and transcritical high-temperature heat pumps, and R717 is used as the working fluid in the mechanical vapor recompression and the heat transfer fluids. Thermodynamic models are built to evaluate the energy efficiency of HTHPs. A case study was carried out on an industrial spray dryer integrated with a waste heat recuperator, where the HTHPs are used to recover precooled air with a dew point of 40℃ and supply heat for drying air at 200℃. For a high-temperature heat pump boosted with an electric air heater, a higher system-level COP is achieved with a high supply temperature from high-temperature heat pump. For a high-temperature heat pump with mechanical vapor recompressions, larger temperature drops in the flashing tank provide higher heat capacities but almost constant values of the coefficient of performance. For a transcritical high-temperature heat pump, an optimum discharge pressure exists for the temperature profiles within the gas cooler and the coefficient of performance. The transcritical high-temperature heat pump provides the best energy efficiency among the three configurations. The theoretical results prove the technical feasibility of high-temperature heat pumps in industrial air-drying applications. .
Desirable built environments demand simultaneous regulation of thermal comfort and indoor air quality (IAQ) with energy-efficient operation of heating, ventilation and air conditioning (HV AC) systems, which involves controls of temperature, humidity and airborne contaminants simultaneously. This paper presents the efforts of dynamic modeling and initial development control strategy for a desiccant-assisted multi-functional air handling unit (AHU) coupled with a direct-expansion rooftop unit (RTU) system, which aims to achieve multiple functions for indoor environment conditioning with energy efficient control. The RTU-AHU system includes a desiccant wheel for dehumidification and a conceptual direct air capture (DAC) filtering device for CO2 regulation. A Modelica-based dynamic model is developed for this conceptual system, and a simple decentralized control strategy is designed, which combines a differential-enthalpy based AHU return-air ratio control, a demand-controlled ventilation, and supply-air temperature humidity control via the RTU and DW controls. The proposed control method is evaluated with the Modelica simulation model for a selected set of scenarios
A key challenge in aerosol pollution studies and climate change assessment is to understand how atmospheric aerosol particles are initially formed. Although new particle formation (NPF) mechanisms have been described at specific sites, in most regions, such mechanisms remain uncertain to a large extent because of the limited ability of atmospheric models to simulate critical NPF processes. Here we synthesize molecular-level experiments to develop comprehensive representations of 11 NPF mechanisms and the complex chemical transformation of precursor gases in a fully coupled global climate model. Combined simulations and observations show that the dominant NPF mechanisms are distinct worldwide and vary with region and altitude. Previously neglected or underrepresented mechanisms involving organics, amines, iodine oxoacids and HNO 3 probably dominate NPF in most regions with high concentrations of aerosols or large aerosol radiative forcing; such regions include oceanic and human-polluted continental boundary layers, as well as the upper troposphere over rainforests and Asian monsoon regions. These underrepresented mechanisms also play notable roles in other areas, such as the upper troposphere of the Pacific and Atlantic oceans. Accordingly, NPF accounts for different fractions (10–80%) of the nuclei on which cloud forms at 0.5% supersaturation over various regions in the lower troposphere. The comprehensive simulation of global NPF mechanisms can help improve estimation and source attribution of the climate effects of aerosols.
Data centers are energy-intensive facilities with substantial low-grade waste heat. High-temperature heat pumps can be critical in boosting the data center’s waste heat for district heating, improving the system-level energy efficiency of data centers, and reducing CO 2 emissions in district heating. This study built thermodynamic models to assess high-temperature heat pumps with six configurations using low global warming potential refrigerants to supply heat up to 120 °C. The heat pump configurations include single-stage or two-stage cycles with advanced components, such as internal heat exchanger, economizer, flash tank, or parallel compressor. The refrigerants include R1234ze(Z), R1233ed(E), R1224yd(Z), R600, and R600a, and R245fa is used as a reference. A case study was carried out to recover the waste heat from the Frontier high-performance computing data center and provide hot water for district heating at the US Department of Energy’s Oak Ridge National Laboratory campus. The optimized performance of high-temperature heat pumps is characterized with various effectiveness of internal heat exchangers, and the operating parameters of economizer or flash tank, as well as their combination. The results show that the configurations of two-stage cycles with internal heat exchanger + flash tank and internal heat exchanger + economizer/parallel-compressor provide the highest coefficient of performance under scenarios of the maximum allowable value and a fixed value (0.3) of the internal heat exchangers’ effectiveness, respectively. R1234ze(Z) and R600a are the most promising refrigerants, considering trade-offs between the coefficient of performance and the volumetric heating capacity. The single-stage cycle with internal heat exchanger + economizer/parallel-compressor using R1234ze(Z) is recommended for utilizing Fronter’s waste heat in district heating. A one mega-watt high-temperature heat pump will reduce 33,100–33,200 metric tons of CO2 emission annually, corresponding to 85.4 %–85.6 % of equivalent CO2 emissions from natural gas boilers. Here, this study provides good guidelines for designing and deploying high-temperature heat pumps to support sustainable data centers and decarbonize district heating in the US.
The present invention provides for a method of fermenting or saccharifying a biomass comprising: (a) (i) contacting a biomass comprising a polysaccharide, and an ionic liquid (IL) to form a first solution, or (ii) providing the first solution comprising the biomass and the IL, (b) contacting the first solution and carbon dioxide such that the first solution results in a lower pH, (c) introducing (i) an enzyme capable of enzymatically to breakdown at least one bond in the polysaccharide or a breakdown product of the polysaccharide, and/or (ii) a microorganism that capable of producing the enzyme and/or fermenting the polysaccharide or a breakdown product of the polysaccharide, such that the polysaccharide is at least partially broken down and the first solution is transformed into a second solution.
The majority of high-temperature heat pumps (HTHPs) operate subcritical vapor compression cycles, where the maximum sink temperature is limited by the critical temperature of refrigerants. In HTHPs with a sink temperature of ≥ 150°C, transcritical cycles overcome this limitation by rejecting heat in the supercritical regions of refrigerant. Supercritical refrigerants in gas coolers have a large temperature glide and substantial nonlinear variation in specific heat capacity vs. temperature. Closely matching the refrigerant glide temperature and the heat sink temperature profile greatly impacts the heat transfer characteristic of gas coolers and the overall performance of HTHPs. This study conducts a pinch point analysis for the gas cooling process of supercritical R1336mzz(Z) in HTHPs. A finite volume element model of a supercritical R1336mzz(Z) counterflow gas cooler is built and solved. This study evaluates the influences of operating conditions, including inlet and outlet of coolants, refrigerant evaporation temperature and superheat degree, pinch temperature difference, and heat rejection pressure, on the performance of HTHPs. The optimal discharge pressures in gas coolers are proposed for industrial spray dryers in providing drying air at 170°C−210°C. The results of the present study help design gas coolers in transcritical R1336mzz(Z) HTHPs.
Heat pumps are a clean and efficient technology that can be powered by renewable electricity to transfer heat using a refrigerant from one place to another by different heat sources, making buildings clean and environmentally friendly. With the support of the ORNL Laboratory Modernization Division, this project explored and evaluated an innovative solution that uses water-water cost-effective midtemperature heat pump (MTHP) technology to leverage the low-grade waste heat from ORNL Frontier and the data center to deliver 85°C hot water, which replaces hot steam generated using natural gas combustion boilers for water heating or space heating in the buildings of ORNL campus. Two scenarios were studied. In the first scenario, which considered the 5600-5700-5800 complex only, Carrier’s commercial 1,000 kW MTHP technology achieves more than 6,640 MWh/year energy savings, an emission reduction of 858 TCO2e/year CO2, and a payback time of 4.85 years. In the second scenario, which considered the 5600-5700-5800 complex and Buildings 5100, 5200, and 5300, the CO2 emission reduction is 1,483 TCO2e/year, the operating cost savings are $0.21 million annually, and the payback time is 3.74 years. Additionally, a comprehensive HP ShowCase Tool was developed for evaluating the optimal solution to improve sustainability and decarbonization of the buildings on the ORNL campus. The tool is an Excel-based tool integrated with VBA (Visual Basic for Applications) coding. The tool includes collected ORNL campus building information and an MTHP library, which comprises collected commercial and ORNL-defined MTHPs. The tool was used to evaluate the sustainability and decarbonization of the ORNL campus. The tool can be widely used or referenced for heat pump solutions and building decarbonization renovation strategies to modernize ORNL facilities and energy use–intensive equipment to enable efficient, sustainable, and resilient operations in the future.
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In this review, we examine state-of-the-art developments in integrating phase change materials (PCMs) for thermal energy storage (TES) in domestic heat pump water heaters (HPWHs). The component design optimization and control optimization of HPWHs and TES are reviewed for insight into improving the thermal capacity and efficiency of a PCM-integrated HPWH. The state-of-the-art review is categorized by the stage of development of the PCM for deployment in HPWHs. To select appropriate PCMs for HPWHs, a six-factor down-selection process is used to determine the best material(s) for integration in HPWHs with appropriate heat exchanger design. Ultimately, food-grade PCMs appear to be the best candidate for integration of TES in domestic HPWHs because they are nontoxic, highly cyclable, and have heat transfer properties accommodable to water heating when integrated in a manner to overcome the thermal conductivity limitations of the material. A key parameter of water heating performance is thermal heating power of the PCM component, which is not often reported. Many studies report significant improvement in capacity and efficiency. Furthermore, many performance metrics are identified from the literature to quantify the system performance, but agreement across studies is not found. Unified energy factor and first hour rating performance tests are required for commercially available HPWHs, and these performance metrics could homogenize the literature. Ultimately, we find that select PCMs are ready for deployment with HPWHs for performance improvement, and component design and control optimizations are new avenues of research and development required for a commercially viable PCM-integrated HPWH system.
With the increasing concerns over climate change and carbon emissions, fault detection and diagnostics (FDD) of low–global warming potential (GWP) refrigerant supermarket refrigeration systems has gained great attention from academic and industrial sectors. Various FDD approaches have been developed to detect, identify, and diagnose faults to save energy, improve food quality, and protect the environment. Here, to mitigate the difficulty of collecting high-quality steady-state operational data in field operations faced by most model-based FDD methods, this study developed dynamic models of a low–GWP refrigerant (CO 2 ) supermarket refrigeration system. The model accuracy was validated using manufacturer data and experimental data. Simulations were conducted to predict the system dynamic response under two common operational faults—evaporator air path blockage fault and the display case door open fault—to identify fault patterns and define key dynamic behavior indexes for supporting FDD algorithm development.
A promising solution to improve the first hour rating (FHR) of a heat pump water heater (HPWH) involves employing a secondary tank which contains phase change material (PCM) capsules. To better understand the influence of PCM thermal storage on the HPWH operational performance, a dynamic model was developed to simulate and analyze the behavior of a newly developed HPWH technology that incorporates PCM storage into a standard HPWH to optimize key parameters such as the uniform energy factor and FHR. Mathematical models of several key components of the proposed HPWH-PCM integrated thermal energy storage (TES) system, e.g., water heater tank, PCM TES tank, evaporator, compressor, and expansion valve, have been elaborated. Also, a model-based control co-simulation platform was developed to integrate a embed PCM storage HPWH dynamic model with a control model for better supporting control design, analysis, verification, and validation. The model accuracy has been validated through comparing simulation results with lab test results, with a mean average percentage error of <5.5% for most of the selected performance variables. In addition, using the developed co-simulation platform, the demand response control strategy was studied to evaluate the load flexibility of the combined HPWH-PCM storage system by shifting system power usage to outside of the 3.5 h peak load period.