A novel process system which integrates an isopropanol-based chemical heat pump with a post-combustion carbon capture unit was proposed, designed, and analyzed. The system uses low-quality waste heat (~80°C) produced through the CO2 adsorption step of a carbon capture process and upgrades that heat to a higher temperature (~150°C) using the chemical heat pump. The chemical heat pump is powered mostly by the waste heat and requires only a small amount of electricity. The higher temperature heat produced can be used in the desorption stage of the CO2 capture process, displacing a portion of the existing fossil energy required. The energy and exergy performance characteristics of the chemical heat pump were computed using the results of a steady state simulation in a systems analysis. Using exergy cost correlations, the profitability of the chemical heat pump concept was estimated. It was found that for this particular configuration, the fossil energy load of desorption could be reduced b... [more]

The decarbonization of the society has a very high effect on the power grids as especially the energy generation will be almost completely shifted to CO2-neutral sources such as wind and solar. This implies significant design changes to the power grids and power systems, which lie between the electricity producers and consumers. In this paper, we discuss both the generation and consumer side, including the grid changes and required data exchange to support the transition.

This study focuses on optimizing solid oxide electrolysis cell (SOEC) systems for efficient and durable long-term hydrogen (H2) production. While the elevated operating temperatures of SOECs offer advantages in terms of efficiency, they also lead to chemical degradation, which shortens cell lifespan. To address this challenge, dynamic degradation models are coupled with a steady-state, two-dimensional, non-isothermal SOEC model and steady-state auxiliary balance of plant equipment models, within the IDAES modeling and optimization framework. A quasi-steady state approach is presented to reduce model size and computational complexity. Long-term dynamic simulations at constant H2 production rate illustrate the thermal effects of chemical degradation. Dynamic optimization is used to minimize the lifetime cost of H2 production, accounting for SOEC replacement, operating, and energy expenses. Several optimized operating profiles are compared by calculating the Levelized Cost of Hydrogen (LC... [more]

Most integrated energy system (IES) optimization frameworks employ the price-taker approximation, which ignores important interactions with the market and can result in overestimated economic values. In this work, we propose a machine learning surrogate-assisted optimization framework to quantify IES/market interactions and thus go beyond price-taker. We use time series clustering to generate representative IES operation profiles for the optimization problem and use machine learning surrogate models to predict the IES/market interaction. We quantify the accuracy of the time series clustering and surrogate models in a case study to optimally retrofit a nuclear power plant with a polymer electrolyte membrane electrolyzer to co-produce electricity and hydrogen.

Sustainability encompasses many wicked problems involving complex interdependencies across social, natural, and engineered systems. We argue holistic multiscale modeling and decision-support frameworks are needed to address multifaceted interdisciplinary aspects of these wicked problems. This review highlights three emerging research areas for artificial intelligence (AI) and machine learning (ML) in molecular-to-systems engineering for sustainability: (1) molecular discovery and materials design, (2) automation and self-driving laboratories, (3) process and systems-of-systems optimization. Recent advances in AI and ML are highlighted in four contemporary application areas in chemical engineering design: (1) equitable energy systems, (2) decarbonizing the power sector, (3) circular economies for critical materials, and (4) next-generation heating and cooling. These examples illustrate how AI and ML enable more sophisticated interdisciplinary multiscale models, faster optimization algor... [more]

In this work, we consider the thermo-mechanical exergy of a substance for cold applications, even as it approaches absolute zero. This is relevant for cold-service applications such as refrigeration, liquefied natural gas, air separation, and liquid hydrogen. We demonstrate how the optimization formulation for the determination of exergy is the most suitable way for process systems engineers to think about exergy. We provide an illustrative example by computing thermo-mechanical exergy of neon approaching absolute zero. We also discuss how this result relates with the Third Law of Thermodynamics, both how it is used to compute thermo-mechanical exergy, but also what it implies about the validity of the results and the equations used to compute them.

Improving the emergency response effectiveness of coal mines in response to water hazard accidents not only plays a vital part in minimizing the resultant losses, but also functions as an important index for evaluating the emergency response capability of coal mines. Therefore, it is of great necessity to test the emergency response capability of coal mines. In this study, an effectiveness measurement index system for the emergency response system that comprises two primary indexes (i.e., response capability and service capability) and six secondary indexes (i.e., accident information transmission, emergency command and control, emergency rescue and mitigation, emergency management, personnel team, and prevention and preparation) was constructed. Additionally, a technique for order preference by similarity to ideal solution (TOPSIS) model for evaluating the effectiveness of the integral emergency response system for coal mine water hazard accidents, based on combination weighting, was... [more]

In the past decade, significant advances in reservoir stimulation and enhanced oil recovery technologies have resulted in rapid production growth in unconventional reservoirs [...]

The noteworthy stability of Dion−Jacobson (DJ) phase two-dimensional perovskites marks them as potential contenders for use in optoelectronic applications. Nonetheless, their proliferation is considerably stymied by the constrained charge transport properties inherent to them. This bottleneck is adeptly navigated by deploying 2D-DJ perovskite top layers, seamlessly integrated on 3D perovskite films. We unveil a novel organic cation salt, 4-(Aminomethyl)piperidine (4AMP), as a potent facilitator for treating perovskite photovoltaic films. By employing the annealing technique, we facilitated the in situ creation of a hybrid 2D/3D architecture. Contrasted with conventional 3D architectures, the delineated perovskite heterojunctions with a 2D/3D structure exhibit superior enhanced charge separation, and mitigate photovoltaic losses by proficiently passivating intrinsic defects. The size-graded perovskite 2D/3D structure engineered herein significantly elevates the charge transfer performan... [more]

Research interest in the behavior of methane inside nanopores has been growing, driven by the substantial geological reserves of shale gas and coalbed methane. The phase diagram of methane in nanopores differs significantly from its bulk state, influencing its existing form and pertinent physical properties—such as density and viscosity—at specific pressures and temperatures. Currently, there is a lack of effort to understand the nanoconfinement effect on the methane phase diagram; this is a crucial issue that needs urgent attention before delving into other aspects of nanoconfined methane behavior. In this study, we establish a fully coupled model to predict the methane phase diagram across various scales. The model is based on vapor-liquid fugacity equilibrium, considering the shift in critical pressure and temperature induced by pore size shrinkage and adsorption-phase thickness. Notably, our proposed model incorporates the often-overlooked factor of capillary pressure, which is gre... [more]

In recent years, the integrity of the gas pipeline in the coal-gas co-mining subsidence area has become a critical problem, restricting the safe and efficient mining of coal resources. This paper establishes a theoretical model for the safety prediction of gas pipelines in mining subsidence areas based on elastic free theory, constructs a 3D model of pipe-sand soil by using ABAQUS simulation software (2021), analyzes the characteristics of ground surface and pipeline settlement combined with the measured data on-site, and reveals the temporal and spatial evolution law of the pipeline load and deformation under the condition of diagonal intersections of the pipeline and high-strength mining working face. The results show that during the mining cycle, the pipe and the sandy soil body experienced the stage of cooperative deformation, the stage of increasing non-cooperative deformation, and the stage of weakening non-cooperative deformation; the pipe body is most vulnerable to yield failur... [more]

Aiming at the problem of the low reuse rate of mine water due to the high content of heavy metals in mine water, in this research, the microcharacterization means of EDX, XRD, BET, SEM, and FT-IR were used to characterize the nonstick coal in a mine in western China. The effects of solid−liquid ratio, solution pH, solution temperature, adsorption time, and initial concentration of the solution on the adsorption of Fe(II) by the nonstick coal were analyzed. The adsorption performance of nonstick coal on adsorbed Fe(II) was analyzed under different influencing factors. The results showed that the adsorption capacity and unit removal rate of the coal samples gradually decreased with the increase in the solid−liquid ratio; the adsorption amount increased with the increase in pH in an “S” shape, and the adsorption effect was better in the range of pH = 5~7; and the adsorption amount increased linearly with the temperature. The quasi-secondary kinetic model and Langmuir model could fit the a... [more]

Accurate mathematical patterning of friction has always been a significant research project in the domains of machinery and control, and has played a crucial role in the analysis, control and compensation of mechanical systems containing friction. For high-property electrohydraulic servo control systems, friction compensation is an urgent problem to be solved. The LuGre friction pattern can represent most frictional behaviors, but the LuGre friction pattern is piecewise-continuous, making it non-differentiable. Therefore, the question of how to combine the LuGre friction pattern, enhancing its tracking capacity and robust performance problem, to friction perturbation in hydraulic backstep devices is an important focus for research. In this study, the conventional LuGre friction pattern was enhanced using the continuous differentiability of a friction of rest pattern that laid the foundation of a smooth tangent function. Laying the foundation of an electrohydraulic servo pump-controlled... [more]

The pursuit of low-energy-consumption CO2 capture technology has promoted the renewal and iteration of absorbents for chemical absorption. In order to evaluate the regeneration energy consumption of absorbents and obtain the distribution of energy consumption, a coupling method combining rigorous energy balance and simple estimation is proposed in this study. The data regarding energy balance and material balance from process simulation are transformed into the model parameters required in the simple estimation model. Regenerative energy consumption and distribution are determined by the empirical estimation formula. Two CO2 capture processes of an MEA aqueous solution and MEA−n-propanol aqueous solution (phase-change absorbent) were used to verify the feasibility and applicability of the coupling method. The effects of n-propanol concentration, CO2 loading in the lean solution, and temperature on energy consumption were discussed. The results show that the energy consumption of 30 wt%... [more]

The production potential of highly deviated wells cannot be fully realized by conventional acid fracturing, as it can only generate a single fracture. To fully enhance the productivity of highly deviated wells, it is necessary to initiate multiple fractures along a prolonged well section to ensure the optimal number of fractures, thereby maximizing the economic returns post-stimulation. Thus, the number of fractures is a crucial parameter in the acid fracturing design of highly deviated wells. Considering factors such as the random distribution of natural fractures within the reservoir and interference between fractures during production, and, based on the oil−water two-phase flow equation, a three-dimensional reservoir−fracture production coupling model and its seepage difference model are established to simulate the production performance of highly deviated wells under varying conditions, including the number of fractures, fracture spacing, and conductivity parameters. A numerical mo... [more]

In rural areas with higher agricultural energy consumption, ensuring low-carbon transformation and rapid penetration is crucial; therefore, the importance of rural energy system in energy transformation is even more prominent. In order to better understand the research progress of rural integrated energy system, the existing structure of rural energy system and design method are briefly introduced, and the bibliometric method is applied to analyze publications from 2013 to 2023. Based on the Scopus database, 915 publications have been retrieved. These publications are analyzed from the perspective of citation, author, address, and published journal. It is concluded that existing researches mostly use conventional energy technologies to achieve power supply in rural areas, lacking analysis of the potential application of emerging energy technologies and research on multi-energy demand. Furthermore, the review reveals the economy of grid-connected rural energy system is mainly related to... [more]

Design processes are always in motion, since more and more data-driven methods are used for various design and validation tasks. However, small and medium enterprises especially struggle with enhancing their processes with data-driven methods due to a lack of practical and easy-to-use analysis and redesign methods which can handle design process characteristics. In this paper, we present PADDME, which stands for process analysis for digital development in mechanical engineering, as a novel method that, in contrast to currently available analysis methods, considers those design process characteristics with respect to the integration of data-driven methods. Furthermore, a novel technology-readiness framework for digital engineering is introduced. Using the PADDME method, an industrial case study on introducing data-driven methods into the design and evaluation process chain is presented. The usability and novelty of the method are shown by the case study. Thus, PADDME allows a detailed c... [more]

Electrode roll forming involves rolling a battery electrode into a preset thickness using a hydraulic roll gap thickness automatic control system (hydraulic AGC for short). The pump-controlled AGC is a highly nonlinear servo system, which is a combination of mechanical, hydraulic and electronic control disciplines; thus, as a new technology, it still faces many challenges in the field of pole plate rolling. In this paper, electro-hydraulic servo pump-controlled AGC technology is replaced by electro-hydraulic servo valve-controlled AGC technology. With pump-controlled AGC high-precision thickness control as the research objective, the fuzzy control method is selected to deal with complex nonlinear systems based on pump-controlled AGC nonlinear stiffness characteristics and nonlinear transmission characteristics. A characteristic compensation control strategy is proposed. At the same time, considering the load fluctuation caused by the uneven thickness of the electrode plate under the in... [more]

In response to the limited available information during the initial stages of coal spontaneous combustion and the influence of decision makers’ risk preferences on decision-making, this paper proposes an emergency decision-making method for coal spontaneous combustion that integrates grey correlation degree and TOPSIS with an enhanced prospect theory. Firstly, a normalized weighted evaluation matrix is established for the emergency response plan of coal spontaneous combustion, and the entropy method is utilized to determine the weights of various indexes. Then, considering the imperfect rationality of decision makers and their diverse individual risk preferences, they are categorized into three types: risk-seeking type, risk-neutral type, and risk-averse type. The corresponding risk coefficients are determined based on these different types. Positive and negative ideal solutions are taken as reference points, and matrices representing gains and losses are constructed. The grey correlat... [more]

The application of particle image velocimetry (PIV) technology for monitoring natural gas flow is a new method of flow measurement. Since the principle of this technology was proposed, there are still some potential issues. This article investigates the influence of a manifold structure on the measurement results of a PIV flowmeter. A comparison is performed between concentric and eccentric manifold structures, using a circular straight pipe as reference, in terms of the measurement error of the PIV flowmeter and the internal flow state of the natural gas. The results demonstrate that the manifold structure significantly affects the measurement reliability of the PIV flowmeter, especially the eccentric manifold structure. Under flow conditions ranging from 100 to 600 m3/h, the maximum measurement errors caused by the concentric and eccentric manifold structures are 2.49% and 3.05%, respectively, which show a noticeable increase compared to the maximum measurement error of 2.08% observe... [more]

Utilizing syngas components CO, CO2, and H2 to produce fatty acids and alcohols offers a sustainable approach for biofuels and chemicals, reducing the global carbon footprint. The development of robust strains, especially for higher alcohol titers in C4 and C6 compounds, and the creation of cost-effective media are crucial. This study compared syngas fermentation capabilities of three novel strains (Clostridium carboxidivorans P20, C. ljungdahlii P14, and C. muellerianum P21) with existing strains (C. ragsdalei P11 and C. carboxidivorans P7) in three medium formulations. Fermentations in 250-mL bottles were conducted at 37 °C using H2:CO2:CO (30:30:40) using P11, P7, and corn steep liquor (CSL) media. Results showed that P11 and CSL media facilitated higher cell mass, alcohol titer, and gas conversion compared to the P7 medium. Strains P7, P14, and P20 formed 1.4- to 4-fold more total alcohols in the CSL medium in comparison with the P7 medium. Further, strain P21 produced more butanol... [more]

Hydrogen energy, as a clean and green energy medium, is characterized by large capacity, extended lifespan, convenient storage, and seamless transmission. On the one hand, in the power system, hydrogen can be prepared by the electrolysis of water using the surplus power from intermittent new energy generation, such as photovoltaic and wind power, to increase the space for new energy consumption. On the other hand, it can be used to generate electricity from the chemical reaction between hydrogen and oxygen through the fuel cell and be used as a backup power source when there is a shortage of power supply. In this paper, based on the teaching practice, the conversion mechanism and coupling relationship between various forms of energy, such as photovoltaic energy, hydrogen energy, and electric energy, were deeply analyzed. Further, a hydrogen-electricity coupling digital simulation experimental system, including photovoltaic power generation, fuel cell, and electrolysis hydrogen system,... [more]

Battery voltage is a pivotal parameter for evaluating battery health and safety. The precise prediction of battery voltage and the implementation of anomaly detection are imperative for ensuring the secure and dependable operation of battery systems. Nevertheless, during the actual operation of electric vehicles, battery performance is subject to the influence of the vehicle's operational state and battery characteristic parameters, introducing challenges to safety alerts. In order to address these challenges and achieve precise battery voltage prediction, this paper comprehensively considers the battery characteristics and driving behavior of electric vehicles in both charging and operational states. Mathematical processing, including averaging and variance calculation, is applied to the battery characteristic parameter data and driving behavior data. By integrating historical voltage data and employing a modified gradient boosting decision tree algorithm (GBDT), a fast and accurate o... [more]

Reactivating oil and gas wells, increasing oil and gas production, and improving recovery provide more opportunities for energy supply especially in the extraction of unconventional oil and gas reservoirs. Due to changes caused by well completion and production in pore pressure around oil and gas wells, subsequently leading to changes in ground stress, and the presence of natural and induced fractures in the reservoir, the process of refracturing is highly complex. This complexity is particularly pronounced in shale oil reservoirs with developed weak layer structures. Through true triaxial hydraulic fracturing experiments on Jimsar shale and utilizing micro-CT to characterize fractures, this study investigates the mechanisms and patterns of refracturing. The research indicates: (1) natural fractures and the stress states in the rock are the primary influencing factors in the fracture propagation. Because natural fractures are widely developed in Jimsar shale, natural fractures are the... [more]

In underground coal gasification, as a choke regulating the formation gas lift pressure, the throttling tool can effectively reduce the production cost, the number of ground heating and insertion equipment, and gas consumption. Because in this process, the coal is transformed into composite synthetic gas through a series of technical treatments, the throttling tool is in a working environment with high temperature and pressure. In the process of transportation of combined synthetic gas, the pulverized coal parts produced by incomplete coal combination move with the gas in the throttling tool. The high temperature and high-pressure gas carrying large-diameter pressed coal parts will cause serial erosion and wear to the throttling device, resulting in failure and well-controlled safety risks. Therefore, according to the Joule−Thomson effect, this paper independently designs downhole throttling tools with single- and double-hole structures. According to actual field conditions, the erosio... [more]