In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene p...In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene production by acetonitrile.The accuracy of five prediction methods,UNIFAC(UNIQUAC Functional-group Activity Coefficients),UNIFAC-LL,UNIFAC-LBY,UNIFAC-DMD and COSMO-RS,applied to the butadiene extraction process was verified using partial phase equilibrium data.The results showed that the UNIFAC-DMD method had the highest accuracy in predicting phase equilibrium data for the missing system.COSMO-RS-predicted multiple systems showed good accuracy,and a large number of missing phase equilibrium data were estimated using the UNIFAC-DMD method and COSMO-RS method.The predicted phase equilibrium data were checked for consistency.The NRTL-RK(non-Random Two Liquid-Redlich-Kwong Equation of State)and UNIQUAC thermodynamic models were used to correlate the phase equilibrium data.Industrial device simulations were used to verify the accuracy of the thermodynamic model applied to the butadiene extraction process.The simulation results showed that the average deviations of the simulated results using the correlated thermodynamic model from the actual values were less than 2%compared to that using the commercial simulation software,Aspen Plus and its database.The average deviation was much smaller than that of the simulations using the Aspen Plus database(>10%),indicating that the obtained phase equilibrium data are highly accurate and reliable.The best phase equilibrium data and thermodynamic model parameters for butadiene extraction are provided.This improves the accuracy and reliability of the design,optimization and control of the process,and provides a basis and guarantee for developing a more environmentally friendly and economical butadiene extraction process.展开更多
The vibration signals of machinery with various faults often show clear nonlinear characteristics.Currently,fractal dimension analysis as the common useful method for nonlinear signal analysis,is a kind of single frac...The vibration signals of machinery with various faults often show clear nonlinear characteristics.Currently,fractal dimension analysis as the common useful method for nonlinear signal analysis,is a kind of single fractal form,which only reflects the overall irregularity of signals,but cannot describe its local scaling properties.For comprehensive revealing of internal properties,a combinatorial method based on band-phase-randomized（BPR） surrogate data and multifractal is introduced.BPR surrogate data method is effective to eliminate nonlinearity in specified frequency band for a fault signal,which can be utilized to detect nonlinear degree in whole fault signal by nonlinear titration method,and the overall nonlinear distribution of fault signal is displayed in nonlinear characteristic curve that can be used to analyze the fault signal qualitatively.Then multifractal theory as a quantitative analysis method is used to describe geometrical characteristics and local scaling properties,and asymmetry coefficient of multifractal spectrum and multifractal entropy for fault signals are extracted as new criterions to diagnose machinery faults.Several typical faults include rotor misalignment,transversal crack,and static-dynamic rubbing fault are analyzed,and the results indicate that those faults can be distinguished by the proposed method effectively,which provides a qualitative and quantitative analysis way in the field of machinery fault diagnosis.展开更多
Recent years, optically controlled phase-change memory draws intensive attention owing to some advanced applications including integrated all-optical nonvolatile memory, in-memory computing, and neuromorphic computing...Recent years, optically controlled phase-change memory draws intensive attention owing to some advanced applications including integrated all-optical nonvolatile memory, in-memory computing, and neuromorphic computing. The light-induced phase transition is the key for this technology. Traditional understanding on the role of light is the heating effect. Generally, the RESET operation of phase-change memory is believed to be a melt-quenching-amorphization process. However, some recent experimental and theoretical investigations have revealed that ultrafast laser can manipulate the structures of phase-change materials by non-thermal effects and induces unconventional phase transitions including solid-to-solid amorphization and order-to-order phase transitions. Compared with the conventional thermal amorphization,these transitions have potential superiors such as faster speed, better endurance, and low power consumption. This article summarizes some recent progress of experimental observations and theoretical analyses on these unconventional phase transitions. The discussions mainly focus on the physical mechanism at atomic scale to provide guidance to control the phase transitions for optical storage. Outlook on some possible applications of the non-thermal phase transition is also presented to develop new types of devices.展开更多
The preparation of sulfoaluminate cementitious materials(SCM)is a promising way to massively utilize solid wastes.Iron phases are significant in SCM system but the thermodynamic data of some key minerals,such as6 CaO&...The preparation of sulfoaluminate cementitious materials(SCM)is a promising way to massively utilize solid wastes.Iron phases are significant in SCM system but the thermodynamic data of some key minerals,such as6 CaO·Al2 O3·2 Fe2 O3(C6 AF2)and 6 CaO·2 Al2 O3·Fe2 O3(C6 A2 F),are missing,which greatly hinders the SCM optimization in a theoretical way.This work,for the first time,calculated the standard formation enthalpy,Gibbs free energy of formation,entropy and molar heat capacity for C6 AF2 and C6 A2 F and lowered the errors to the least with the reference of C4 AF data in the literature.By building the function diagram of Gibbs free energy changes with temperature for the basic iron phase formation reactions with the obtained thermodynamic data,it is proved that the formation likeliness of C6 AF2 is higher than that of C6 A2 F,as is accordant to the literatures and verifies the correctness of obtained data.This work provides a good theoretical foundation to optimize SCM mineral system and to study relevant mechanism deeply.展开更多
In this paper a critical assessment and optimization of the phase diagrams and thermodynamic properties of the PrCl_3-MCl(M=Li,Na)and PrCl_3-MCl_2(M=Mg,Ca,Sr,Ba) binary systems have been per- formed.The assessed and o...In this paper a critical assessment and optimization of the phase diagrams and thermodynamic properties of the PrCl_3-MCl(M=Li,Na)and PrCl_3-MCl_2(M=Mg,Ca,Sr,Ba) binary systems have been per- formed.The assessed and optimized binary phase diagrams and thermodynamic data with self consistency are a better basis for constructing multicomponent phase diagrams.展开更多
Experimental and theoretical studies of the mechanisms of vibration stimulation of oil recovery in watered fields lead to the conclusion that resonance oscillations develop in fractured-block formations. These oscilla...Experimental and theoretical studies of the mechanisms of vibration stimulation of oil recovery in watered fields lead to the conclusion that resonance oscillations develop in fractured-block formations. These oscillations, caused by weak but long-lasting and frequency-stable influences, create the conditions for ultrasonic wave’s generation in the layers, which are capable of destroying thickened oil membranes in reservoir cracks. For fractured-porous reservoirs in the process of exploitation by the method of water high-pressure oil displacement, the possibility of intensifying ultrasonic vibrations can have an important technological significance. Even a very weak ultrasound can destroy, over a long period of time, the viscous oil membranes formed in the cracks between the blocks, which can be the reason for lowering the permeability of the layers and increasing the oil recovery. To describe these effects, it is necessary to consider the wave process in a hierarchically blocky environment and theoretically simulate the mechanism of the appearance of self-oscillations under the action of relaxation shear stresses. For the analysis of seism acoustic response in time on fixed intervals along the borehole an algorithm of phase diagrams of the state of many-phase medium is suggested.展开更多
The general use of aluminium as an indentation standard for the iteration of contact heights for the determination of ISO-14577 hardness and elastic modulus is challenged because of as yet not appreciated phase-change...The general use of aluminium as an indentation standard for the iteration of contact heights for the determination of ISO-14577 hardness and elastic modulus is challenged because of as yet not appreciated phase-changes in the physical force-depth standard curve that seemed to be secured by claims from 1992. The physical and mathematical analyses with closed formulas avoid the still world-wide standardized energy-law violation by not reserving 33.33% (h2 belief) (or 20% h3/2 physical law) of the loading force and thus energy for all not depth producing events but using 100% for the depth formation is a severe violation of the energy law. The not depth producing part of the indentation work cannot be done with zero energy! Both twinning and structural phase-transition onsets and normalized phase-transition energies are now calculated without iterations but with physically correct closed arithmetic equations. These are reported for Berkovich and cubecorner indentations, including their comparison on geometric grounds and an indentation standard without mechanical twinning is proposed. Characteristic data are reported. This is the first detection of the indentation twinning of aluminium at room temperature and the mechanical twinning of fused quartz is also new. Their disqualification as indentation standards is established. Also, the again found higher load phase-transitions disqualify aluminium and fused quartz as ISO-ASTM 14577 (International Standardization Organization and American Society for Testing and Materials) standards for the contact depth “hc” iterations. The incorrect and still world-wide used black-box values for H- and Er-values (the latter are still falsely called “Young’s moduli” even though they are not directional) and all mechanical properties that depend on them. They lack relation to bulk moduli from compression experiments. Experimentally obtained and so published force vs depth parabolas always follow the linear FN = kh3/2 + Fa equation, where Fa is the axis-cut before and after the phase-transition branches (never “h2” as falsely enforced and used for H, Er and giving incorrectly calculated parameters). The regression slopes k are the precise physical hardness values, which for the first time allow for precise calculation of the mechanical qualities by indentation in relation to the geometry of the indenter tip. Exactly 20% of the applied force and thus energy is not available for the indentation depth. Only these scientific k-values must be used for AI-advises at the expense of falsely iterated indentation hardness H-values. Any incorrect H-ISO-ASTM and also the iterated Er-ISO-ASTM modulus values of technical materials in artificial intelligence will be a disaster for the daily safety. The AI must be told that these are unscientific and must therefore be replaced by physical data. Iterated data (3 and 8 free parameters!) cannot be transformed into physical data. One has to start with real experimental loading curves and an absolute ZerodurR standard that must be calibrated with standard force and standard length to create absolute indentation results. .展开更多
基金supported by the National Natural Science Foundation of China(22178190)。
文摘In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene production by acetonitrile.The accuracy of five prediction methods,UNIFAC(UNIQUAC Functional-group Activity Coefficients),UNIFAC-LL,UNIFAC-LBY,UNIFAC-DMD and COSMO-RS,applied to the butadiene extraction process was verified using partial phase equilibrium data.The results showed that the UNIFAC-DMD method had the highest accuracy in predicting phase equilibrium data for the missing system.COSMO-RS-predicted multiple systems showed good accuracy,and a large number of missing phase equilibrium data were estimated using the UNIFAC-DMD method and COSMO-RS method.The predicted phase equilibrium data were checked for consistency.The NRTL-RK(non-Random Two Liquid-Redlich-Kwong Equation of State)and UNIQUAC thermodynamic models were used to correlate the phase equilibrium data.Industrial device simulations were used to verify the accuracy of the thermodynamic model applied to the butadiene extraction process.The simulation results showed that the average deviations of the simulated results using the correlated thermodynamic model from the actual values were less than 2%compared to that using the commercial simulation software,Aspen Plus and its database.The average deviation was much smaller than that of the simulations using the Aspen Plus database(>10%),indicating that the obtained phase equilibrium data are highly accurate and reliable.The best phase equilibrium data and thermodynamic model parameters for butadiene extraction are provided.This improves the accuracy and reliability of the design,optimization and control of the process,and provides a basis and guarantee for developing a more environmentally friendly and economical butadiene extraction process.
基金supported by National Natural Science Foundation of China (Grant No. 61077071,Grant No. 51075349)Hebei Provincial Natural Science Foundation of China (Grant No. F2011203207)
文摘The vibration signals of machinery with various faults often show clear nonlinear characteristics.Currently,fractal dimension analysis as the common useful method for nonlinear signal analysis,is a kind of single fractal form,which only reflects the overall irregularity of signals,but cannot describe its local scaling properties.For comprehensive revealing of internal properties,a combinatorial method based on band-phase-randomized（BPR） surrogate data and multifractal is introduced.BPR surrogate data method is effective to eliminate nonlinearity in specified frequency band for a fault signal,which can be utilized to detect nonlinear degree in whole fault signal by nonlinear titration method,and the overall nonlinear distribution of fault signal is displayed in nonlinear characteristic curve that can be used to analyze the fault signal qualitatively.Then multifractal theory as a quantitative analysis method is used to describe geometrical characteristics and local scaling properties,and asymmetry coefficient of multifractal spectrum and multifractal entropy for fault signals are extracted as new criterions to diagnose machinery faults.Several typical faults include rotor misalignment,transversal crack,and static-dynamic rubbing fault are analyzed,and the results indicate that those faults can be distinguished by the proposed method effectively,which provides a qualitative and quantitative analysis way in the field of machinery fault diagnosis.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.61922035 and 11904118)
文摘Recent years, optically controlled phase-change memory draws intensive attention owing to some advanced applications including integrated all-optical nonvolatile memory, in-memory computing, and neuromorphic computing. The light-induced phase transition is the key for this technology. Traditional understanding on the role of light is the heating effect. Generally, the RESET operation of phase-change memory is believed to be a melt-quenching-amorphization process. However, some recent experimental and theoretical investigations have revealed that ultrafast laser can manipulate the structures of phase-change materials by non-thermal effects and induces unconventional phase transitions including solid-to-solid amorphization and order-to-order phase transitions. Compared with the conventional thermal amorphization,these transitions have potential superiors such as faster speed, better endurance, and low power consumption. This article summarizes some recent progress of experimental observations and theoretical analyses on these unconventional phase transitions. The discussions mainly focus on the physical mechanism at atomic scale to provide guidance to control the phase transitions for optical storage. Outlook on some possible applications of the non-thermal phase transition is also presented to develop new types of devices.
基金Supported by the Program for National Key R&D Plan(2017YFC0703100).
文摘The preparation of sulfoaluminate cementitious materials(SCM)is a promising way to massively utilize solid wastes.Iron phases are significant in SCM system but the thermodynamic data of some key minerals,such as6 CaO·Al2 O3·2 Fe2 O3(C6 AF2)and 6 CaO·2 Al2 O3·Fe2 O3(C6 A2 F),are missing,which greatly hinders the SCM optimization in a theoretical way.This work,for the first time,calculated the standard formation enthalpy,Gibbs free energy of formation,entropy and molar heat capacity for C6 AF2 and C6 A2 F and lowered the errors to the least with the reference of C4 AF data in the literature.By building the function diagram of Gibbs free energy changes with temperature for the basic iron phase formation reactions with the obtained thermodynamic data,it is proved that the formation likeliness of C6 AF2 is higher than that of C6 A2 F,as is accordant to the literatures and verifies the correctness of obtained data.This work provides a good theoretical foundation to optimize SCM mineral system and to study relevant mechanism deeply.
文摘In this paper a critical assessment and optimization of the phase diagrams and thermodynamic properties of the PrCl_3-MCl(M=Li,Na)and PrCl_3-MCl_2(M=Mg,Ca,Sr,Ba) binary systems have been per- formed.The assessed and optimized binary phase diagrams and thermodynamic data with self consistency are a better basis for constructing multicomponent phase diagrams.
文摘Experimental and theoretical studies of the mechanisms of vibration stimulation of oil recovery in watered fields lead to the conclusion that resonance oscillations develop in fractured-block formations. These oscillations, caused by weak but long-lasting and frequency-stable influences, create the conditions for ultrasonic wave’s generation in the layers, which are capable of destroying thickened oil membranes in reservoir cracks. For fractured-porous reservoirs in the process of exploitation by the method of water high-pressure oil displacement, the possibility of intensifying ultrasonic vibrations can have an important technological significance. Even a very weak ultrasound can destroy, over a long period of time, the viscous oil membranes formed in the cracks between the blocks, which can be the reason for lowering the permeability of the layers and increasing the oil recovery. To describe these effects, it is necessary to consider the wave process in a hierarchically blocky environment and theoretically simulate the mechanism of the appearance of self-oscillations under the action of relaxation shear stresses. For the analysis of seism acoustic response in time on fixed intervals along the borehole an algorithm of phase diagrams of the state of many-phase medium is suggested.
文摘The general use of aluminium as an indentation standard for the iteration of contact heights for the determination of ISO-14577 hardness and elastic modulus is challenged because of as yet not appreciated phase-changes in the physical force-depth standard curve that seemed to be secured by claims from 1992. The physical and mathematical analyses with closed formulas avoid the still world-wide standardized energy-law violation by not reserving 33.33% (h2 belief) (or 20% h3/2 physical law) of the loading force and thus energy for all not depth producing events but using 100% for the depth formation is a severe violation of the energy law. The not depth producing part of the indentation work cannot be done with zero energy! Both twinning and structural phase-transition onsets and normalized phase-transition energies are now calculated without iterations but with physically correct closed arithmetic equations. These are reported for Berkovich and cubecorner indentations, including their comparison on geometric grounds and an indentation standard without mechanical twinning is proposed. Characteristic data are reported. This is the first detection of the indentation twinning of aluminium at room temperature and the mechanical twinning of fused quartz is also new. Their disqualification as indentation standards is established. Also, the again found higher load phase-transitions disqualify aluminium and fused quartz as ISO-ASTM 14577 (International Standardization Organization and American Society for Testing and Materials) standards for the contact depth “hc” iterations. The incorrect and still world-wide used black-box values for H- and Er-values (the latter are still falsely called “Young’s moduli” even though they are not directional) and all mechanical properties that depend on them. They lack relation to bulk moduli from compression experiments. Experimentally obtained and so published force vs depth parabolas always follow the linear FN = kh3/2 + Fa equation, where Fa is the axis-cut before and after the phase-transition branches (never “h2” as falsely enforced and used for H, Er and giving incorrectly calculated parameters). The regression slopes k are the precise physical hardness values, which for the first time allow for precise calculation of the mechanical qualities by indentation in relation to the geometry of the indenter tip. Exactly 20% of the applied force and thus energy is not available for the indentation depth. Only these scientific k-values must be used for AI-advises at the expense of falsely iterated indentation hardness H-values. Any incorrect H-ISO-ASTM and also the iterated Er-ISO-ASTM modulus values of technical materials in artificial intelligence will be a disaster for the daily safety. The AI must be told that these are unscientific and must therefore be replaced by physical data. Iterated data (3 and 8 free parameters!) cannot be transformed into physical data. One has to start with real experimental loading curves and an absolute ZerodurR standard that must be calibrated with standard force and standard length to create absolute indentation results. .
