Towards Production and Energy Coupling System Modeling and Simulation for Energy Optimization in the Process Industry

The production and energy coupling system is used to mainly present energy flow, material flow, information flow, and their coupling interaction. Through the modeling and simulation of this system, the performance of energy flow can be analyzed and optimized in the process industry. In order to study this system, the component based hybrid Petri net methodology (CpnHPN) is proposed, synthesizing a number of extended Petri net methods and using the concept of energy place, material place, and information place. Through the interface place in CpnHPN, the component based encapsulation is established, which enables the production and energy coupling system to be built, analyzed, and optimized on the multi-level framework. Considering the block and brief simulation for hybrid system, the CpnHPN model is simulated with Simulink/Stateflow. To illustrate the use of the proposed methodology, the application of CpnHPN in the energy optimization of chlorine balance system is provided.

Numerical simulation of a sheet metal extrusion process by using thermal-mechanical coupling EAS FEM

The thermal-mechanical coupling finite element method(FEM)was usedto simulate a non-isothermal sheet metal extrusion process. On thebasis of the finite plasticity consistent with multiplicativedecomposition of the deformation gradient, the enhanced as- sumedstrain(EAS)FEM was applied to carry out the numerical simulation. Inorder to make the computation reliable ad avoid hour- glass mode inthe EAS element under large compressive strains, an alterative formof the original enhanced deformation gradient was employed. Inaddition, reduced factors were used in the computation of the elementlocal internal parameters and the enhanced part of elementalstiffness.

The Mesozoic Basin-Mountain Coupling Process of the Southern East China Sea Shelf Basin and its Adjacent Land Area

Basin-mountain coupling is a key issue for basin formation and evolution. The analysis of basin-mountain coupling process, as well as quantitative or semiquantitative restoration of prototype basin and the evolution of continental margin, can be used to interpret the geological process of basin-range conversion and reconstruct early prototype basins, which is a difficult and leadin~ scientific oroblem of basin research.

AN ADAPTIVE EFG-FE COUPLING METHOD FOR THE NUMERICAL SIMULATION OF EXTRUSION PROCESSES

An adaptive EFG-FE coupling method is proposed and developed for the numerical simulation of lateral extrusion and forward-backward extrusion. Initially, the simulation has been implemented by using a conventional FE model. During the deforming process, mesh quality is checked at every incremental step. Distorted elements are automatically converted to EFG nodes, whereas, the less distorted elements are reserved. A new algorithm to generate EFG nodes and interface elements is presented. This method is capable of dealing with large deformation and has higher computational efficiency than using an EFG method wholly. Numerical results demonstrate that the adaptive EFG-FE coupling method has reasonable accuracy and is effective for local bulk metal forming such as extrusion processes.

Formation Mechanism in Alloy Steel Rolling Process Using Thermo-mechanical Coupling Method

Based on the theory of elastic-plastic finite element method, the high-speed hot continuous rolling process of a billet is simulated and analyzed in vertical and horizontal passes. The billet is dragged into the passes by contact friction force between the billet and rollers. The rollers and billet are represented by respectively rigid and deformable bodies, and three-dimensional models are developed for the billet and rollers. The distribution of deformation field, effective strain, rolling force and temperature field are accurately calculated for the whole rolling process （including unstable and stable stages）. In addition, the rolling pressure on the width symmetry center is compared with that in the in-situ experimental measurements. It is revealed that various heat exchange phenomena among the billet, rollers and surroundings can result in unbalanced temperature distribution on the cross section. Rolling force and strain can change significantly when the billet is moved towards or away from the roller gap, and keep almost invariable in the stable stage. It is expected that the simulation results would be useful for practical manufacture and provide the theoretical foundation for improvement of process planning and optimization of process parameters.

Effects of Tensor Couplings on Nucleonic Direct URCA Processes in Neutron Star Matter

The relativistic neutrino emissivity of the nucleonic direct URCA processes in neutron star matter is investigated within the relativistic Hartree-Fock approximation. We particularly study the influences of the tensor couplings of vector mesons ω and ρ on the nucleonic direct URCA processes. It is found that the inclusion of the tensor couplings of vector mesons w and p can slightly increase the maximum mass of neutron stars. In addition, the results indicate that the tensor couplings of vector mesons ω and ρ lead to obvious enhancement of the total neutrino emissivity for the nucleonic direct URCA processes, which must accelerate the cooling rate of the non- superfluid neutron star matter. However, when considering only the tensor coupling of vector meson ρ, the neutrino emissivity for the nucleonic direct URCA processes slightly declines at low densities and significantly increases at high densities. That is, the tensor coupling of vector meson ρ leads to the slow cooling rate of a low-mass neutron star and rapid cooling rate of a massive neutron star.

Decoupling multimode vibrational relaxations in multi-component gas mixtures: Analysis of sound relaxational absorption spectra

Decoupling the complicated vibrational-vibrational （V-V） coupling of a multimode vibrational relaxation remains a challenge for analyzing the sound relaxational absorption in multi-component gas mixtures. In our previous work [Acta Phys. Sin. 61 174301 （2012）], an analytical model to predict the sound absorption from vibrational relaxation in a gas medium is proposed. In this paper, we develop the model to decouple the V-V coupled energy to each vibrationaltranslational deexcitation path, and analyze how the multimode relaxations form the peaks of sound absorption spectra in gas mixtures. We prove that a multimode relaxation is the sum of its decoupled single-relaxation processes, and only the decoupled process with a significant isochoric-molar-heat can be observed as an absorption peak. The decoupling model clarifies the essential processes behind the peaks in spectra arising from the multimode relaxations in multi-component gas mixtures. The simulation validates the proposed decoupling model.

Coupling catalytic hydrolysis and oxidation for CS_2 removal

CS2 removal was obtained by coupling catalytic hyidation on bi-functional catalyst. On the hydrolysis active sites, CS2 is hydrolyzed to HES, while on the oxidation active sites, HES is oxidized to elemental S or sulfuric acid deposited on the porous support. The above process can be expressed as follows： CS2 H2O→ COS H2O→ H2S O2→ S/SO4^2-. H2S oxidation eliminates its prohibition on C52 hydrolysis so that the rate of coupling removal CS2 is 5 times higher than that of CS2 hydrolysis. The same active energy of hydrolysis and coupling reaction also indicates that HES oxidation does not change the reaction mechanism of CS2 hydrolysis. Temperature has obvious effect on the process while the mole ratio of O2 concentration to CS2 concentration （O/S） does not, especially in excess of 2.5. The formation of sulfuric acid on the catalyst surface poisons hydrolysis active sites and causes the decrease of left OH^-1 concentration on the catalysts surface. Lower temperature is suggested for this bi-functional catalyst owing to the low yield ratio of S/SO4^2-.

Numerical manifold method modeling of coupled processes in fractured geological media at multiple scales

The greatest challenges of rigorously modeling coupled hydro-mechanical(HM)processes in fractured geological media at different scales are associated with computational geometry.These challenges include dynamic shearing and opening of intersecting fractures at discrete fracture scales as a result of coupled processes,and contact alteration along rough fracture surfaces that triggers structural and physical changes of fractures at micro-asperity scale.In this paper,these challenges are tackled by developing a comprehensive modeling approach for coupled processes in fractured geological media based on numerical manifold method(NMM)at multiple scales.Based on their distinct geometric features,fractures are categorized into three different scales:dominant fracture,discrete fracture,and discontinuum asperity scales.Here the scale is relative,that of the fracture relative to that of the research interest or domain.Different geometric representations of fractures at different scales are used,and different governing equations and constitutive relationships are applied.For dominant fractures,a finite thickness zone model is developed to treat a fracture as a porous nonlinear domain.Nonlinear fracture mechanical behavior is accurately modeled with an implicit approach based on strain energy.For discrete fractures,a zero-dimensional model was developed for analyzing fluid flow and mechanics in fractures that are geometrically treated as boundaries of the rock matrix.With the zero-dimensional model,these fractures can be modeled with arbitrary orientations and intersections.They can be fluid conduits or seals,and can be open,bonded or sliding.For the discontinuum asperity scale,the geometry of rough fracture surfaces is explicitly represented and contacts involving dynamic alteration of contacts among asperities are rigorously calculated.Using this approach,fracture alteration caused by deformation,re-arrangement and sliding of rough surfaces can be captured.Our comprehensive model is able to handle the computational challenges with accurate representation of intersections and shearing of fractures at the discrete fracture scale and rigorously treats contacts along rough fracture surfaces at the discontinuum asperity scale.With future development of three-dimensional(3D)geometric representation of discrete fracture networks in porous rock and contacts among multi-body systems,this model is promising as a basis of 3D fully coupled analysis of fractures at multiple scales,for advancing understanding and optimizing energy recovery and storage in fractured geological media.

NUMERICAL MODELING FOR COUPLED THERMO-HYDRO-MECHANICAL AND CHEMICAL PROCESSES (THMC) OF GEOLOGICAL MEDIA——INTERNATIONAL AND CHINESE EXPERIENCES

The coupled thermo-hydro-mechanical and chemical (THMC) processes of stress/deformation,fluid flow,temperature and geochemical reactions of the geological media,namely fractured rocks and soils,play an important role in design,construction,operation and environmental impact assessments of rock and soil engineering works such as underground nuclear waste repositories,oil/gas production and storage,geothermal energy extraction,landslides and slope stability,hydropower and water conservancy complexes,etc. This paper presents an overview of the international and Chinese experiences in numerical modeling of the coupled THMC processes for both the state-of-the-knowledge,remaining challenges and possible future prospects.

ANALYSIS OF THE THERMOPHYSICAL PARAMETERS OF MOIST WOOD PARTICLE MATERIAL IN A COUPLED HEAT AND MASS TRANSFER PROCESS OF FREEZING BY USING FINITE ELEMENT METHOD

The coupled heat and moisture transfer in a freezing process of wood particle material was mathematically modeled in the paper. The models were interactively solved by using the numerical method(the finite element method and the finite difference method). By matching the theoretical calculation to an experiment, the nonlinear problem was analyzed and the variable thermophysical parameters concerned was evaluated. The analysis procedure and the evaluation of the parameters were presented in detail. The result of the study showed that by using the method as described in the paper, it was possible to determine the variable (with respect to temperature, moisture content and freezing state) thermophysical parameters which were unknown or difficult to measure as long as the governing equations for a considered process were available. The method can significantly reduces the experiment efforts for determining thermophysical parameters which arc very complicated to measure. The determined variable of the effective heat conductivity of wood particle material was given in the paper. The error of the numerical calculation was also estimated by the comparison with a matched experiment.

Time-varying coupling-induced logical stochastic resonance in a periodically driven coupled bistable system

Coupling-induced logical stochastic resonance(LSR) can be observed in a noise-driven coupled bistable system where the behaviors of system can be interpreted consistently as a specific logic gate in an appropriate noise level. Here constant coupling is extended to time-varying coupling, and then we investigate the effect of time-varying coupling on LSR in a periodically driven coupled bistable system. When coupling intensity oscillates periodically with the same frequency with periodic force or relatively high frequency, the system successfully yields the desired logic output. When coupling intensity oscillates irregularly with phase disturbance, large phase disturbance reduces the area of optimal parameter region of coupling intensity and response speed of logic devices. Although the system behaves as a desired logic gate when the frequency of time-periodic coupling intensity is precisely equal to that of periodic force, the desired logic gate is not robust against tiny frequency difference and phase disturbance. Therefore, periodic coupling intensity with high frequency ratio is an optimal option to obtain a reliable and robust logic operation.

The effects of process conditions on the plasma characteristic in radio-frequency capacitively coupled SiH_4/NH_3/N_2 plasmas: Two-dimensional simulations

A two-dimensional （2D） fluid model is presented to study the behavior of silicon plasma mixed with SiH4 , N2 , and NH3 in a radio-frequency capacitively coupled plasma （CCP） reactor. The plasma–wall interaction （including the deposition） is modeled by using surface reaction coefficients. In the present paper we try to identify, by numerical simulations, the effect of variations of the process parameters on the plasma properties. It is found from our simulations that by increasing the gas pressure and the discharge gap, the electron density profile shape changes continuously from an edge-high to a center-high, thus the thin films become more uniform. Moreover, as the N2 /NH3 ratio increases from 6/13 to 10/9, the hydrogen content can be significantly decreased, without decreasing the electron density significantly.

The etching process and mechanism analysis of Ta-Sb2Te3 film based on inductively coupled plasma

Compared to the conventional phase change materials,the new phase change material Ta-Sb2Te3 has the advantages of excellent data retention and good material stability.In this letter,the etching characteristics of Ta-Sb2Te3 were studied by using CF4/Ar.The results showed that when CF4/Ar=25/25,the etching power was 600 W and the etching pressure was 2.5 Pa,the etching speed was up to 61 nm/min.The etching pattern of Ta-Sb2Te3 film had a smooth side wall and good perpendicularity(close to 90°),smooth surface of the etching(RMS was 0.51nm),and the etching uniformity was fine.Furthermore,the mechanism of this etching process was analyzed by X-ray photoelectron spectroscopy(XPS).The main damage mechanism of ICP etching in CF4/Ar was studied by X-ray diffraction(XRD).

COUPLING MODEL OF TWO PHASE FLOW IN A FRACTURE-ROCK MATRIX SYSTEM AND ITS STOCHASTIC FEATURE ANALYSIS

This study is concerned with developing a two-dimensional two-phase model that simulate the movement of non-aqueous phase liquid (NAPL) in a fracture-rock matrix system. The intrinsic permeability and the fracture aperture are represented in the model via its KarhunenLoeve expansion. Other parameters and the nodal unknowns, water saturations and water pressures, are represented by their stochastic spectral expansions. The errors resulting from truncation of Karhunen - Loeve and polynomial chaos expansions to a finite number of terms are analyzed. The eigenvalues of stochastic process is found out for any point in the special domain of the problem at any instant in time.

An Evaluation System for Agriculture and Tourism Coupling Degree of Rural Complex Based on Production-living-ecological Space

Rural complex is a bright spot for China to realize the development of new industries for rural revitalization.Starting from the concept,development history and current situation of rural complex,based on the perspective of production-living-ecological space,according to the different characteristics of agriculture and tourism,3 secondary indices and 18 tertiary indices were selected,and each of them was weighted using the Delphi expert consultation method and analytic hierarchy process(AHP)to construct an evaluation system for the coupling degree of agriculture and tourism in rural complex.The results show gross domestic product and forest coverage have the most significant impact on agriculture,economic benefits and the ecological water quality of tourist attractions have the most significant impact on the tourism industry,and tourism economic benefits and agricultural ecological benefits have the most significant impact on rural complex.

Progress in Processes and Catalysts for Dehydrogenation of Cyclohexanol to Cyclohexanone

The dehydrogenation of cyclohexanol to cyclohexanone is a crucial industrial process in the production of caprolactam and adipic acid, both of which serve as important precursors in nylon textiles. This endothermic reaction is constrained by thermodynamic equilibrium and involves a complex reaction network, leading to a heightened focus on catalysts and process design. Copper-based catalysts have been extensively studied and exhibit exceptional low-temperature catalytic performance in cyclohexanol dehydrogenation, with some being commercially used in the industry. This paper specifically concentrates on research advancement concerning active species, reaction mechanisms, factors influencing product selectivity, and the deactivation behaviors of copper-based catalysts. Moreover, a brief introduction to the new processes that break thermodynamic equilibrium via reaction coupling and their corresponding catalysts is summarized here as well. These reviews may off er guidance and potential avenues for further investigations into catalysts and processes for cyclohexanol dehydrogenation.

Variations and relations between chlorophyll concentrations and physical-ecological processes near the West Antarctic Peninsula

The West Antarctic Peninsula(WAP)region is one of the most productive marine ecosystems in the Southern Ocean that support the food web for phytoplankton,krill spawning or recruitment and several krill consumers at higher-trophic level like penguins and Antarctic fur seals.Characterized by channels and islands,the complex topography of the WAP generates interconnected circulation patterns,strongly influencing vertical stratification,nutrient availability and distribution of marine organisms.Additionally,rapid climate change associated with major climate modes like the Southern Annular Mode(SAM)and El Niño-Southern Oscillation(ENSO)has significant effects on long-term variations of physical environments and biological production.The objective of this study is to reveal the spatial-temporal variations of phytoplankton biomass in the WAP region and the modulating physical-ecological processes.By using 9-year hydrographic and ecological data of five transects collected by the Palmer Long-Term Ecosystem Research,the horizontal and vertical distributions of several physical and ecological properties,with a particular focus on chlorophyll(Chl)concentration were explored.Regression analysis among area-averaged properties and properties at single stations was performed to reveal the relationship between the interannual variations of physical and ecological processes.The correlation results showed that Chl concentration exhibited a positive relationship with both the circumpolar deep water(CDW)intrusion and vertical stratification,but showed a negative correlation with SAM at some specific stations.However,certain processes or mechanisms may only be dominant for specific stations and not applicable to the entire region.No single physical or ecological factors have been found to significantly influence the Chl distribution throughout the WAP region,which may be attributed to the heterogeneity of sea ice conditions,geometry and hydrodynamic features as well as variations in nutrient sources.

中国极端天气气候研究——“地球系统与全球变化”重点专项项目简介及最新进展

全球变暖背景下,极端天气气候事件频发,并表现出群发性、持续性、复合性等特点,不可预测性增加;持续性强降水、极端低温、复合型极端高温干旱、群发性热浪和台风等极端天气气候事件对我国经济社会和可持续发展影响巨大。然而,上述极端天气气候事件的新特征、关键过程和机理尚不完全清楚,重大极端事件的预报预测水平亟待提升。文章首先简要介绍“地球系统与全球变化”重点专项项目“中国极端天气气候事件的形成机理及其预测和归因”的基本情况。项目拟在分析全球变化背景下对我国造成重大影响的极端天气气候事件新特征的基础上,深入研究多尺度海-陆-气耦合过程影响极端天气气候事件的机理,挖掘极端天气气候事件次季节-季节预测的前兆信号;发展动力与物理统计相结合的极端事件预测新方法,研制针对中国极端事件的新一代高分辨率数值预报与检测归因系统。文章重点总结了自2022年12月项目立项至今取得的最新研究成果和进展。