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Mixing temperature optimization and modification mechanism of medical masks modified asphalt:Insights from computational chemistry
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作者 Heyang Ding Hongren Gong Lin Cong 《International Journal of Transportation Science and Technology》 2024年第4期177-193,共17页
Masks modified asphalt(MMA)provides a potential solution to pollution from discarded medical masks.Mixing temperature significantly affects storage stability and rheological performance of MMA.Traditional selection me... Masks modified asphalt(MMA)provides a potential solution to pollution from discarded medical masks.Mixing temperature significantly affects storage stability and rheological performance of MMA.Traditional selection method overly relies on trial-and-error experiment,neglecting the convenience offered by computational chemistry.Furthermore,previous literature lacks precise elucidation of MMA’s physical modification mechanism,especially concerning the binding mode and energy composition.To address these issues,the optimal mixing temperature for MMA was recommended based on molecular dynamics(MD).The rationality of recommended temperature was validated through laboratory tests,simultaneously investigating the impact of heating time.Fluorescence microscopy and multi-band spectroscopy were employed to acquire the microstructure.Binding modes in MMA were determined using binding sites exploration,evaluating the energy composition of each binding mode through quantum chemistry(QC).The interaction mechanism was explained based on surface properties of isolated molecules.Results indicated that 170℃was the recommended optimal mixing temperature derived from mixing free energy and Flory-Huggins interaction parameter.The fluctuations in softening point difference(DTR&B)and separation ratio(R_(S))concurrently tended towards stability,thereby validating the reliability of recommended temperature.Moreover,even after 72 h heating,MMA prepared at recommended temperature remained within a reasonable range concerning DTR&B,RS,and microscopic structure.Perpendicular,parallel,toroidal,and spherical modes emerged in MMA.Perpendicular and parallel modes exhibited the highest binding energy,while circular mode demonstrated the lowest.Binding energy is primarily governed by van der Waals interaction,attributed to the dominance of dispersion term on MMA’s molecular surface.Besides,due to the presence of polycyclic aromatic hydrocarbons in asphalt molecules,electrostatic interaction contributed to specific molecular bindings. 展开更多
关键词 Mixing temperature optimization Binding mode Energy-driven mechanism Energy decomposition Modified asphalt
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Grey-box modelling for estimation of optimum cut point temperature of crude distillation column
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作者 Junaid Shahzad Iftikhar Ahmad +5 位作者 Muhammad Ahsan Farooq Ahmad Husnain Saghir Manabu Kano Hakan Caliskan Hiki Hong 《CAAI Transactions on Intelligence Technology》 2025年第1期160-174,共15页
A grey-box modelling framework was developed for the estimation of cut point temperature of a crude distillation unit(CDU)under uncertainty in crude composition and process conditions.First principle(FP)model of CDU w... A grey-box modelling framework was developed for the estimation of cut point temperature of a crude distillation unit(CDU)under uncertainty in crude composition and process conditions.First principle(FP)model of CDU was developed for Pakistani crudes from Zamzama and Kunnar fields.A hybrid methodology based on the integration of Taguchi method and genetic algorithm(GA)was employed to estimate the optimal cut point temperature for various sets of process variables.Optimised datasets were utilised to develop an artificial neural networks(ANN)model for the prediction of optimum values of cut points.The ANN model was then used to replace the hybrid framework of the Taguchi method and the GA.The integration of the ANN and FP model makes it a grey-box(GB)model.For the case of Zamama crude,the GB model helped in the decrease of up to 38.93%in energy required per kilo barrel of diesel and an 8.2%increase in diesel production compared to the stand-alone FP model under uncertainty.Similarly,for Kunnar crude,up to 18.87%decrease in energy required per kilo barrel of diesel and a 33.96%increase in diesel production was observed in comparison to the stand-alone FP model. 展开更多
关键词 artificial neural networks crude distillation unit cut point temperature optimization exergy analysis gray box model industry 4.0
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Optimization of rice wine fermentation process based on the simultaneous saccharification and fermentation kinetic model 被引量:13
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作者 Dengfeng Liu Hongtao Zhang +1 位作者 Chi-Chung Lin Baoguo Xu 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2016年第10期1406-1412,共7页
Chinese rice wine making is a typical simultaneous saccharification and fermentation (SSF) process. During the fermentation process, temperature is one of the key parameters which decide the quality of Chinese rice ... Chinese rice wine making is a typical simultaneous saccharification and fermentation (SSF) process. During the fermentation process, temperature is one of the key parameters which decide the quality of Chinese rice wine. To optimize the SSF process for Chinese rice wine brewing, the effects of temperature on the kinetic parameters of yeast growth and ethanol production at various temperatures were determined in batch cultures using a mathematical model. The kinetic parameters as a function of temperature were evaluated using the software Origin8.0. Combing these functions with the mathematical model, an appropriate form of the model equations for the SSF considering the effects of temperature were developed. The kinetic parameters were found to fit the experimental data satisfactorily with the developed temperature-dependent model. The temperature profile for maximizing the ethanol production for rice wine fermentation was determined by genetic algorithm. The optimum temperature profile began at a low temperature of 26℃ up to 30 h. The operating temperature increased rapidly to 31.9 ℃, and then decreased slowly to 18℃ at 65 h. Thereafter, the temperature was maintained at 18 ℃ until the end of fermentation. A maximum ethanol production of 89.3 g.L 1 was attained. Conceivably, our model would facilitate the improvement of Chinese rice wine production at the industrial scale. 展开更多
关键词 Chinese rice wine temperature controlling Simultaneous saccharification and fermentation Optimal temperature profile
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Ant colony system algorithm for the optimization of beer fermentation control 被引量:1
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作者 肖杰 周泽魁 张光新 《Journal of Zhejiang University Science》 EI CSCD 2004年第12期1597-1603,共7页
Beer fermentation is a dynamic process that must be guided along a temperature profile to obtain the desired results. Ant colony system algorithm was applied to optimize the kinetic model of this process. During a fix... Beer fermentation is a dynamic process that must be guided along a temperature profile to obtain the desired results. Ant colony system algorithm was applied to optimize the kinetic model of this process. During a fixed period of fermentation time, a series of different temperature profiles of the mixture were constructed. An optimal one was chosen at last. Optimal temperature profile maximized the final ethanol production and minimized the byproducts concentration and spoilage risk. The satisfactory results obtained did not require much computation effort. 展开更多
关键词 Beer fermentation Kinetic model ACS algorithm optimization Optimal temperature profile
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Systematic investigation of SO_(2) adsorption and desorption by porous powdered activated coke:Interaction between adsorption temperature and desorption energy consumption
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作者 Jun Li Liqiang Zhang +6 位作者 Xiao Zhu Mengze Zhang Tai Feng Xiqiang Zhao Tao Wang Zhanlong Song Chunyuan Ma 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2022年第8期140-148,共9页
Porous carbon materials have been widely used for the removal of SO_(2) from flue gas.The main objective of this work is to clarify the effects of adsorption temperature on SO_(2) adsorption and desorption energy cons... Porous carbon materials have been widely used for the removal of SO_(2) from flue gas.The main objective of this work is to clarify the effects of adsorption temperature on SO_(2) adsorption and desorption energy consumption.Coal-based porous powdered activated coke(PPAC)prepared in the drop-tube reactor was used in this study.The N_(2) adsorption measurements and Fourier transform infrared spectrometer analysis show that PPAC exhibits a developed pore structure and rich functional groups.The experimental results show that with a decrease in adsorption temperature in the range of 50–150℃,the adsorption capacity of SO_(2) increases linearly;meanwhile,the adsorption capacity of H_(2)O increases,resulting in the increase in desorption energy consumption per unit mass of adsorbent.The processes of SO_(2) and H_(2)O desorption were determined by the temperature-programmed desorption test,and the desorption energies for each species were calculated.Considering the energy consumption per unit of desorption and the total amount of adsorbent,the optimal adsorption temperature yielding the minimum total energy consumption of regeneration is calculated.This study systematically demonstrates the effect of adsorption temperature on the adsorption–desorption process,providing a basis for energy saving and emission reduction in desulfurization system design. 展开更多
关键词 Activated coke SO2 adsorption Desorption energy consumption Optimal adsorption temperature
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Optimization by Thermodynamics in Time Finished of a Cold Store with Mechanical Compression of the Vapors
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作者 L. Okotaka Ebale B. Mabiala D. Nkounkou Tomodiatounga 《Journal of Electronics Cooling and Thermal Control》 2016年第4期139-152,共14页
This study made it possible to determine by the application of thermodynamics in finished time, the points of instruction necessary to the development of a regulation system for the rationalization of the power consum... This study made it possible to determine by the application of thermodynamics in finished time, the points of instruction necessary to the development of a regulation system for the rationalization of the power consumption in a cold store. These points were obtained by determining the optimal variations of temperature as well to the condenser and the evaporator corresponding to the minimum capacity absorptive by the compressor for a maximum COP. 展开更多
关键词 Thermodynamics in Finished Time Rationalization of Energy Maximum Refrigerating Power Optimal Variations of temperature
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Hybrid deep learning architecture for temperature gradient control of a solid oxide electrolysis cell under fluctuating wind power
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作者 Jiayu Zhu Yun Zheng +2 位作者 Wenlai Zhao Wei Yan Jiujun Zhang 《Energy and AI》 2025年第3期1062-1071,共10页
The co-electrolysis of CO_(2)and H_(2)O through solid oxide electrolysis cells(SOECs),powered by renewable energy sources,offers a promising pathway to achieving carbon neutrality in the chemical industry.However,the ... The co-electrolysis of CO_(2)and H_(2)O through solid oxide electrolysis cells(SOECs),powered by renewable energy sources,offers a promising pathway to achieving carbon neutrality in the chemical industry.However,the inherent intermittency of renewable energy generation,such as wind power,leads to unstable power input for electrolysis.This variability induces significant thermal stress in SOECs,potentially causing cracks or even system failure.To address this challenge,a hybrid deep learning architecture(HDLA)was developed to control the temperature gradient of SOECs.The architecture combines a convolutional neural network(CNN)and a long short-term memory(LSTM)model for wind power prediction,a multi-physics model for temperature gradient simulation,and a linear neural network regression model to simulate the temperature distribution in SOECs.Training and verification are conducted using 16 datasets from an industrial wind farm.The results demonstrate that the application of HDLA successfully reduce the temperature gradient of SOECs from±20℃ to±5℃.Additionally,the potential wind power utilization achieved near-complete wind power utilization,increasing from 18%to 99%.This real-time control strategy,which optimizes flow regulation,effectively mitigates thermal stress,thereby extending the lifespan of SOECs and ensuring continuous carbon reduction,efficient conversion,and utilization. 展开更多
关键词 Hybrid deep learning architecture(HDLA) Solid oxide electrolysis cells(SOECs) CO_(2)/H_(2)O co-electrolysis temperature gradient optimization Wind power prediction
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Minimizing carbon deposition in plasma-induced methane coupling with structured hydrogenation catalysts 被引量:1
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作者 Nuria García-Moncada Toine Cents +1 位作者 Gerard van Rooij Leon Lefferts 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2021年第7期271-279,共9页
The effect of temperature and hydrogen addition on undesired carbonaceous deposit formation during methane coupling was studied in DBD-plasma catalytic-wall reactors with Pd/Al2 O3, using electrical power to drive the... The effect of temperature and hydrogen addition on undesired carbonaceous deposit formation during methane coupling was studied in DBD-plasma catalytic-wall reactors with Pd/Al2 O3, using electrical power to drive the reaction.Experiments with thin catalyst layers allowed comparison of the performance of empty reactors and catalytic wall reactors without significantly influencing the plasma properties.The product distribution varies strongly in the temperature window between 25 and 200℃Minimal formation of deposits is found at an optimal temperature around 75℃ in the catalytic-wall reactors.The selectivity to deposits was c.a.10% with only 9 mg of catalyst loading instead of 45% in the blank reactor,while decreasing methane conversion only mildly.Co-feeding H2 to an empty reactor causes a similar decrease in selectivity to deposits,but in this case methane conversion also decreased significantly.Suppression of deposits formation in the catalytic-wall reactor at 75℃ is due to catalytic hydrogenation of mainly acetylene to ethylene.In the empty reactor,H2 co-feed decreases conversion but does not change the product distribution.The catalytic-wall reactors can be regenerated with H2-plasma at room temperature,which produces more added-value hydrocarbons. 展开更多
关键词 Dielectric barrier discharge(DBD)plasma-catalysis Structured reactor Methane coupling H_(2)co-feed temperature optimization Carbon deposits
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Improvement in efficiency of solar cell by removing Cu2-xSe from CIGS film surface 被引量:1
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作者 李伟 孙云 +2 位作者 刘伟 李风岩 周琳 《Chinese Physics B》 SCIE EI CAS CSCD 2006年第4期878-881,共4页
CIGS thin films are deposited by sputtering and selenization, The synthesis of semiconducting polycrystalline thin films and characteristics of devices based on the CIGS absorbing layers are investigated. Their micros... CIGS thin films are deposited by sputtering and selenization, The synthesis of semiconducting polycrystalline thin films and characteristics of devices based on the CIGS absorbing layers are investigated. Their microstructures are characterized by x-ray diffraction and Raman spectroscopy, The results reveal that there exist metallic Cu2-xSe compounds in CIGS film surfaces and the compounds are thought to be responsible for the degradation of the open circuit voltage of solar cells. The optimization of selenization temperature profile and copper content in the precursor surfaces is studied, concluding that the conversion efficiency may be improved by removing metallic Cu2-xSe compounds from the surfaces of CIGS thin films. 展开更多
关键词 Cu2-xSe CIGS thin films optimization of temperature profile
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Preliminary Study on Selection and Identification of a Mannanase-producing Strain and Its Enzymatic Properties
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作者 Yuyong WU Min YU Zhi WU 《Agricultural Biotechnology》 CAS 2012年第1期47-50,共4页
[Objective] This study aimed to identify a maunanase-producing strain isolated from soil. [Method] With kanjac powder as the substrate, a man- nanase-producing dominant strain was iselated from the soil samples collec... [Objective] This study aimed to identify a maunanase-producing strain isolated from soil. [Method] With kanjac powder as the substrate, a man- nanase-producing dominant strain was iselated from the soil samples collected from Kunyu Mountain by using plate selection method. Sequence analysis of the 16SrDNA fragment of the strain was conducted, and the strain was identified as Bacillus subtilis. Fermentation conditions and enzymatic characteristics were studied preliminarily. [ Result] Experimental result showed that enzyme yield of this strain was different in different medium and in the same medium at different tempera- ture. Enzyme yield of this strain in LB medium was higher when incubated at 27 ℃ than at 30 ℃ ; however, incubation at 30 ℃ was more conducive to the enzyme production than incubation at 27 ℃ in SOC medium. The optimal reaction pH was 7.0 and the optimal reaction temperature was 55 ℃ for enzyme production of this strain. When the temperature was above 55 ℃, enzyme activity declined sharply with the raise of temperature. Under the optimum conditions, enzyme activity could achieve 95.3 U. [ Conclusion] This study provided reference for the industrial application of degradation products of mannan. 展开更多
关键词 MANNANASE Optimal temperature Optimal pH Enzyme activity
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Entransy dissipation minimization for generalized heat exchange processes 被引量:13
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作者 XIA ShaoJun CHEN LinGen +1 位作者 XIE ZhiHui SUN FengRui 《Science China(Technological Sciences)》 SCIE EI CAS CSCD 2016年第10期1507-1516,共10页
This paper investigates the MED(Minimum Entransy Dissipation)optimization of heat transfer processes with the generalized heat transfer law q∝(A(T^(n))m.For the fixed amount of heat transfer,the optimal temperature p... This paper investigates the MED(Minimum Entransy Dissipation)optimization of heat transfer processes with the generalized heat transfer law q∝(A(T^(n))m.For the fixed amount of heat transfer,the optimal temperature paths for the MED are obtained The results show that the strategy of the MED with generalized convective law q∝(△T)^m is that the temperature difference keeps constant,which is in accordance with the famous temperature-difference-field uniformity principle,while the strategy of the MED with linear phenomenological law q∝A(T^-1)is that the temperature ratio keeps constant.For special cases with Dulong-Petit law q∝(△T)^1.25 and an imaginary complex law q∝(△(T^4))^1.25,numerical examples are provided and further compared with the strategies of the MEG(Minimum Entropy Generation),CHF(Constant Heat Flux)and CRT(Constant Reservoir Temperature)operations.Besides,influences of the change of the heat transfer amount on the optimization results with various heat resistance models are discussed in detail. 展开更多
关键词 entransy theory finite time thermodynamics heat exchange process optimal temperature path generalized heattransfer law generalized thermodynamic optimization
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Phonon-induced magnetoresistance oscillations in a high-mobility quantum well
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作者 周其盛 曹俊诚 +1 位作者 齐鸣 雷啸霖 《Journal of Semiconductors》 EI CAS CSCD 北大核心 2010年第9期1-4,共4页
We examine the temperature dependence of acoustic-phonon-induced magnetoresistance oscillations in a high-mobility GaAs-based quantum well with conventional transverse and longitudinal phonon modes,using a model in wh... We examine the temperature dependence of acoustic-phonon-induced magnetoresistance oscillations in a high-mobility GaAs-based quantum well with conventional transverse and longitudinal phonon modes,using a model in which the temperature increase of the Landau level broadening or the single-particle scattering rate 1/τ;is attributed to the enhancement of electron-phonon scattering with rising temperature.The non-monotonic temperature behavior, showing an optimal temperature at which a given order of oscillation amplitude exhibits a maximum and the shift of the main resistance peak to higher magnetic field with rising temperature,is produced,in agreement with recent experimental findings. 展开更多
关键词 two-dimensional electron gas phonon-induced magnetoresistance oscillations linear mobility optimal temperature
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