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Adsorption behaviors of shale oil in kerogen slit by molecular simulation

Chemical engineering Journal 2020年 387卷

作者： Yongfei Yang Jie Liu Jun Yao Jianlong Kou Zheng Li Tianhao Wu Kai Zhang Lei Zhang Hai Sun Key Laboratory of Unconventional Oil & Gas Development China University of Petroleum (East China) Ministry of Education Qingdao 266580 PR China Research Center of Multiphase Flow in Porous Media School of Petroleum Engineering China University of Petroleum (East China) Qingdao 266580 PR China Institute of Condensed Matter Physics Zhejiang Normal University Jinhua 321004 PR China Reservoir Engineering Research Institute 595 Lytton Avenue Suite B Palo Alto CA 94301 USA

Shale oil is widely distributed in organic nanopores, while kerogen plays a complex and key role for adsorption behavior of shale oil, and thus it is crucial to identify the associated storage mechanisms. In this paper, molecular dynamic (MD) simulation had been performed to quantify the adsorption behavior of shale oil in kerogen slits. Both the distribution of shale oil properties and potential of the mean force (PMF) were used to identify the interaction mechanisms between the light and heavy components respectively represented by methane and asphaltene. We also examined the effects of different temperatures and apertures on the adsorption behavior. Owning to the extremely strong adsorption capacity between the asphaltene and kerogen, the adsorbed asphaltene layers reduce the slit width, preventing the light components from adsorbing on the kerogen slits due to the energy barrier formed by heavy components. It is found that, with an increase in temperature, the distribution of hydrocarbons performs more homogeneously. In addition, the adsorption quantity of medium components displays a reduction in kerogen slit, while the heavy component shows a rising as its greater competitiveness, suggesting that the medium components are the most potential fraction in thermal exploitation, and the light components keep a steady quantity with the combined action of medium and heavy components. The small slit (aperture <2 nm) can be blocked by asphaltene molecules, and the adsorption density of hydrocarbons reaches the maximum at 2 nm aperture.

关键词： Adsorption behavior Shale oil Kerogen Molecular simulation

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Prediction on bubble departure diameter of high pressure boiling water in vertical upward smooth tubes 17

Prediction on bubble departure diameter of high pressure boi...

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17th International Topical Meeting on Nuclear Reactor Thermal Hydraulics, NURETH 2017

作者： Guo, Kaikai Li, Huixiong Zhang, Qing Kong, Xiangfei Luo, Qing Xue, Yuqing State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi'an Shaanxi China China Huaneng Clean Energy Research Institute Beijing102209 China Xi’an Thermal Power Research Institute Co. Ltd Xi'an Shaanxi China

As one of the most important parameters of boiling phenomena, the bubble departure diameter has great influence on the vapor-liquid interfacial heat transfer and the convection heat transfer between the wall and the fluid involved. At present, the RPI wall boiling model has been often used to simulate the boiling phenomenon, however, due to the fact that the existing bubble departure diameter models embedded in the RPI wall boiling model were mostly derived from fitting of limited experimental data, there exists great limitation to the applicability of the RPI wall boiling model. Moreover, the experimental data of the bubble departure diameter was mostly obtained at low and middle pressures, and no experimental data of the bubble departure diameter was measured at high pressure (more than 10 MPa). So the effectiveness of the RPI wall boiling model at high pressures should be studied further. A series experimental investigations on the heat transfer of high pressure boiling water in vertical upward tubes has been conducted at the Hi-TaP-XJTU test loop, and wall temperatures of vertical upward tubes were acquired at pressures ranging from 1 to 19 MPa. In combinations with the experimental studies, numerical simulations were performed on the heat transfer of high pressure boiling water flow in vertical upward tubes by using the RPI wall boiling model under conditions corresponding to the experimental investigation. Then,, the reference diameter (dref) used in the Tolubinsky bubble departure diameter model was modified and selected for a specific water pressure so as to make the numerically-obtained wall temperature to satisfactorily match the corresponding experimentally-measured wall temperature at the specific pressure. It was found that the value of dref was closely related to the pressures of the boiling water, but was independent of the mass flux of the water and the heat flux on the wall at a specific pressure. Based on a correlation between the water pressures a

关键词： Heat flux

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Mesoscale spatiotemporal structures:opportunities from challenges

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National Science Review 2017年第6期4卷 787-787页

作者： Jinghai Li State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of Sciences

There are major challenges in resolving the ever-present complexity in nature,science and *** difficulty in analysing complex systems,invariably featuring spatiotemporal dynamic structures,is attributed to revealing t... 详细信息

关键词： Mesoscale spatiotemporal structures:opportunities from challenges

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Correlations of Coal Chemical Properties in China: Quantitative Analysis from Thousands of Data

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Energy Procedia 2017年 105卷 1339-1343页

作者： Chang’an Wang Song Wu Wufeng Chen Qiang Lv Defu Che State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi’an Jiaotong University No 28 Xianning West Road Xi’an 710049 China

Coal chemical properties show conspicuous impacts on its reactivity and thermal conversion. Nevertheless, the quantitative analysis of coal property indice in China is insufficient. Here, we quantitatively analyzed the correlations of various chemical properties of coals from thousands of data. Noteworthy variations were captured with some quantified expressions between coal properties obtained.

关键词： coal property quantitative analysis fuel ratio coal rank energy conversion fossil fuel

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Aeroelastic Analysis of Preset Angle for A Typical Airfoil Section with Cubic Nonlinear Stiffness

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Journal of Physics: Conference Series 2019年第1期1300卷 012100-012100页

作者： Nan, Guofang Ding, Di Wang, Weitao School of Energy and Power Engineering University of Shanghai for Science and Technology China Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering 516 Jungong Road 200093 Shanghai P.R. China School of Energy and Power Engineering University of Shanghai for Science and Technology China

The influences of the preset angle on the dynamic responses of the typical airfoil section with cubic nonlinear stiffness were investigated under consideration of the aerodynamic flutter onset due to certain angle of attack. The typical airfoil model with cubic nonlinear stiffness is developed to analyze the plunging and the pitching motions for the airfoil section. Based on the Grossman’s quasi steady aerodynamic model, the aerodynamic lift and the moment can be obtained and then the equation of motion for the airfoil section is derived by applying the Lagrange theorem. The effects of the preset angle and the oncoming flow speed on the nonlinear dynamics are analyzed by means of the bifurcation diagram, the frequency-amplitude diagram, the time history, etc. Simulation results show that the preset angle influences the intensity of the vibration, moderate or severe, stable or unstable, even under certain circumstance, the jump and chaos phenomenon occur; and the oncoming flow speed affects the distribution of the vibration energy for the plunging and the pitching motions. The unstable stall region for the responding parameters should be avoided to keep the airfoil safe in engineering practice. Some qualitative and quantitative rules are obtained for the airfoil design and the flutter suppression.

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Effect of Cu Addition to 2205 Duplex Stainless Steel on the Resistance against Pitting Corrosion by the Pseudomonas aeruginosa Biofilm

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Journal of Materials Science & Technology 2017年第7期33卷 723-727页

作者： Ping Li Yang Zhao Yuzhi Liu Ying Zhao Dake Xu Chunguang Yang Tao Zhang Tingyue Gu Ke Yang Corrosion and Protection Laboratory Key Laboratory of Superlight Materials and Surface Technology Harbin Engineering University. Ministry of Education. 145 Nantong Street Harbin 150001. China State Key Laboratory for Corrosion and Protection Institute of Metal Research Chinese Academy of Sciences Shenyang 110016 China Shenzhen Institutes of Advanced Technology Chinese Academy of Sciences Shenzhen China Department of Chemical and Biomolecular Engineering. Institute for Corrosion and Multiphase Technology. Ohio University Athens OH 45701 USA

The effect of copper addition to 2205 duplex stainless steel（DSS） on its resistance against pitting corrosion by the Pseudomonas aeruginosa biofilm was investigated using electrochemical and surface analysis techniques. Cu addition decreased the general corrosion resistance, resulting in a higher general corrosion rate in the sterile medium. Because DSS usually has a very small general corrosion rate, its pitting corrosion resistance is far more important. In this work, it was shown that 2205-3%Cu DSS exhibited a much higher pitting corrosion resistance against the P. aeruginosa biofilm compared with the 2205 DSS control, characterized by no significant change in the pitting potential and critical pitting temperature（CPT） values. The strong pitting resistance ability of 2205-3%Cu DSS could be attributed to the copper-rich phases on the surface and the release of copper ions, providing a strong antibacterial ability that inhibited the attachment and growth of the corrosive P. aeruginosa biofilm.

关键词： Duplex stainless steel Copper Microbiologically influenced corrosion Pitting corrosion Antibacterial Pseudomonas aeruginosa

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Product-based Carbon Constraint Energy Planning with pinch analysis for sustainable methanol industry in China

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Chemical engineering Transactions 2017年 61卷 103-108页

作者： Qin, Zhen Tang, Kai Wu, Xiaomei Yu, Yunsong Zhang, Zaoxiao School of Chemical Engineering and Technology Xi'an Jiaotong University Xi'an710049 China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China

For the purpose of greenhouse gas control in chemical industries, the industrial structure adjustment and lowcarbon technology retrofit are the alternatives for policymakers and plants to simultaneously meet the energy demand and carbon emission limit. Considering the various technological sources and predictable product demand in methanol production industries, this paper presents the method of Product-based Carbon Constraint Energy Planning (PCEP) combined with improved GM(1,1) model to analyse the practical interaction between energy demand and carbon emission for methanol industry in 2020 in China. The results show that without any emission reduction measures, the total carbon emissions of methanol industry in 2020 would be 4.84 times larger than that of 2011. By enhancing the methanol production of biomass routing and conducting the project of CO2 capture and storage (CCS) in all coal-to-methanol plants, the total carbon emissions would be 36.01 % less than the given carbon constraint. Besides, at least 65 % of coal-to-methanol plants should be retrofitted with CCS on the consideration of the current challenges of biofuel development in order to meet the carbon constraint. The energy structure of China and the inherent property with high carbon content in coal determine that the coal-to-methanol routing contributes the most of methanol supply but also the maximum carbon emissions in the methanol industry, even if policymakers and plants take measures to adjust the industrial structure and retrofit the existing plants with low-carbon technology. Copyright © 2017, AIDIC Servizi S.r.l.

关键词： Chemical industry

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Integration of Organic Rankine Cycle with Lignite Flue Gas Pre-drying for Waste Heat and Water Recovery from Dryer Exhaust Gas: Thermodynamic and Economic Analysis

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Energy Procedia 2017年 105卷 1614-1621页

作者： Xiaoqu Han Sotirios Karellas Ming Liu Konstantinos Braimakis Weixiong Chen Junjie Yan Emmanuel Kakaras State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi’an 710049 China Laboratory of Steam Boilers and Thermal Plants National Technical University of Athens Athens 15780 Greece

The flue gas pre-drying of lignite produces a moisture rich dryer exhaust gas which can be further cooled to recover the waste heat and water vapor. An environmental friendly power system is investigated in the present work, which integrates the lignite flue gas pre-drying system with an organic Rankine cycle (ORC) to utilize the waste heat to generate power and capture the condensed water. Simulation models of the integrated system are developed, incorporating thermodynamic and economic evaluation indicators. The optimal energy and exergy efficiencies of the ORC system are calculated to be 3.10% and 24.57%, respectively, for an evaporation temperature of 51 °C when R245fa is used as the working fluid. Accordingly, the ORC power output is 3.61 MW and the absolute plant efficiency improvement is 0.27% points. Moreover, 55.17% of the water vapor can be recovered. The economic performance significantly relies on the specific investment cost of ORC and the electricity selling price. Typically, the break-even points of the specific investment cost are 2300 €/kW and 3700 €/kW when electricity selling prices are 0.05 €/kWh and 0.08 €/kWh, respectively.

关键词： Lignite Flue gas pre-drying Waste heat recovery Organic Rankine cycle

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Mesoscale modeling for computational fluid dynamics of circulating fluidized beds 12

Mesoscale modeling for computational fluid dynamics of circu...

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12th International Conference on Fluidized Bed Technology, CFB 2017

作者： Wang, Wei Li, Jinghai State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China University of Chinese Academy of Sciences Beijing100049 China

Gas-solid fluidized bed is a typical dissipative system, featuring meso-scale structures with bimodal distribution of parameters. To account for this characteristic, recent years have witnessed a blossom of meso-scale modeling research from various angles of view. In particular, by integrating the bimodal distribution into the structure-dependent analysis of mass, momentum and energy conservation, we can unify the hydrodynamic equations of the two-fluid model and those of the energy minimization multi-scale (EMMS) model. Further, by extending this structure-dependent analysis to the extremum behavior of energy dissipation, we find that the minimum energy dissipation rate applies only to the uniform flow in gas-dominated regime, but fails in the particle-fluid compromising fluidization regime. In contrast, the EMMS principle of compromise in competition can well describe the variational behavior of meso-scale structures, and hence the EMMS-based multi-scale computational fluid dynamics has been successfully applied in predicting fluidization behavior in both academy and industry. The concept of EMMS meso-scale modeling has been recently extended to the realm of hybrid computing, enabling us a quasi-real-time computation. Such a big jump of capability will radically modify our research mode, bringing us to the new paradigm of virtual process engineering.

关键词： Computational fluid dynamics

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CFD study of mixing and segregation of binary gas-solid flow in CFB risers with EMMS drag model 12

CFD study of mixing and segregation of binary gas-solid flow...

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12th International Conference on Fluidized Bed Technology, CFB 2017

作者： Qin, Zhiyuan Zhou, Quan Wang, Junwu State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China University of Chinese Academy of Sciences Beijing100049 China

To consider the effects of the existence of different kinds of particles in gas-solid flow, an attempt is made to extend the Energy Minimization Multi-Scale (EMMS) drag model to binary gas-solid system. Four input parameters that can be obtained from CFD simulation, including two slip velocities between gas and each particle phase and two particle concentrations of each phase, are used to solve the proposed EMMS drag model. Heterogeneous indexes, which are used to modify the drag correlation obtained from homogeneous fluidization, are then predicted and fed into multi-fluid model (MFM) to predict the dynamical behavior of mixing and segregation of binary gas-solid flow. Several 3D CFD simulations with various operating conditions are carried out to validate the binary EMMS drag model. Simulation results fit well with the experimental data, which indicates that the EMMS drag model could capture the mixing and segregation characteristics of binary gas-solid flow.

关键词： Computational fluid dynamics

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