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超(近)临界水溶剂特性的分子动力学模拟

计算机与应用化学 2007年第7期24卷 872-874页

作者：马静董秀芹张敏华天津大学石油化工技术开发中心绿色合成与转化教育部重点实验室天津300072

采用分子动力学模拟,从溶解度参数的角度考察水在不同条件下的溶剂特性。计算结果表明水的溶解度参数1与温度成反比,但当温度高及723.15 K时,变化趋于平缓;2与压力成正比,在临界点(647.45 k,22 MPa)附近对压力特别敏感;超临界水的溶解... 详细信息

采用分子动力学模拟,从溶解度参数的角度考察水在不同条件下的溶剂特性。计算结果表明水的溶解度参数1与温度成反比,但当温度高及723.15 K时,变化趋于平缓;2与压力成正比,在临界点(647.45 k,22 MPa)附近对压力特别敏感;超临界水的溶解度参数与密度有良好的线性关系。

关键词：分子动力学模拟溶解度参数内聚能

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醋酸乙烯的NVT-GEMC模拟研究

计算机与应用化学 2013年第5期30卷 550-552页

作者：董秀芹姚玲张敏华天津大学石油化工技术开发中心绿色合成与转化教育部重点实验室天津300072

采用了NVT-Gibbs系综蒙特卡罗(NVT-GEMC)方法,借助于Towhee模拟软件,在常压下,温度为293.15 K～473.15 K条件下,对醋酸乙烯体系进行汽液相平衡模拟计算。采用力场参数迁移的方法将TraPPE-UA力场描述文件中缺少的与CHo=c原子基团相关的... 详细信息

采用了NVT-Gibbs系综蒙特卡罗(NVT-GEMC)方法,借助于Towhee模拟软件,在常压下,温度为293.15 K～473.15 K条件下,对醋酸乙烯体系进行汽液相平衡模拟计算。采用力场参数迁移的方法将TraPPE-UA力场描述文件中缺少的与CHo=c原子基团相关的键参数和非键参数补全。在此基础上,通过设置合理的模拟参数,计算得到了常压下醋酸乙烯汽液相密度随温度的变化情况。将计算值与实验值进行对比,发现液相密度的计算值与实验值的相对偏差在低温时较小,约在10%以内;随温度的升高相对偏差逐渐变大,在473.15 K时高达25%。这说明GEMC方法模拟计算醋酸乙烯体系相共存性质具有可行性,TraPPE-UA力场中CHo=c原子的力场参数还有待修正。

关键词：分子模拟蒙特卡罗 Gibbs系综相平衡醋酸乙烯

Finite-time Prescribed Performance Time-Varying Formation Control for Second-Order Multi-Agent Systems With Non-Strict Feedback Based on a Neural Network Observer

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IEEE/CAA Journal of Automatica Sinica 2024年第4期11卷 1039-1050页

作者： Chi Ma Dianbiao dong the School of Mechanical Engineering Northwestern Polytechnical UniversityXi’an 710072China

This paper studies the problem of time-varying formation control with finite-time prescribed performance for nonstrict feedback second-order multi-agent systems with unmeasured states and unknown *** eliminate nonlinearities,neural networks are applied to approximate the inherent dynamics of the *** addition,due to the limitations of the actual working conditions,each follower agent can only obtain the locally measurable partial state information of the leader *** address this problem,a neural network state observer based on the leader state information is ***,a finite-time prescribed performance adaptive output feedback control strategy is proposed by restricting the sliding mode surface to a prescribed region,which ensures that the closed-loop system has practical finite-time stability and that formation errors of the multi-agent systems converge to the prescribed performance bound in finite ***,a numerical simulation is provided to demonstrate the practicality and effectiveness of the developed algorithm.

关键词： Finite-time control multi-agent systems neural network prescribed performance control time-varying formation control

Decision and Coordination in a Closed-Loop Supply Chain with Product Recycling Under Different Low-Carbon Regulations

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Journal of the Operations Research Society of China 2024年第3期12卷 695-728页

作者： Qian-dong dong Hai-Wen Xu School of Management and Engineering Nanjing UniversityNanjing210093JiangsuChina School of Science Civil Aviation Flight University of ChinaGuanghan618307SichuanChina

The implementation of recycling activity is of great significance to closed-loop supply chain ***’environmental awareness and governmental subsidy are considered in the two-echelon closed-loop supply *** types of decision-making structures are proposed under different carbon emission *** subsidy sharing mechanism is designed to resolve the channel members’conflict caused by double *** paper provides insight into the effect of environmental awareness and government subsidy under different low-carbon regulations on the supply chain benefit and social welfare via the game *** analysis results display that the government subsidy and subsidy sharing mechanism are profitably beneficial to the whole supply chain and social ***,a noteworthy result reveals that social welfare is not always directly proportional to consumers’environmental *** welfare decreases slightly with the increase in consumers’environmental awareness when consumers’environmental awareness is ***,social welfare will be significantly improved when consumers’environmental awareness increases beyond a certain threshold.

关键词： Closed-loop supply chain Recycling Coordination Social welfare Game theory Carbon emissions

Copper slag assisted coke reduction of phosphogypsum for sulphur dioxide preparation

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Chinese Journal of Chemical Engineering 2024年第1期65卷 43-53页

作者： dong Ma Qinhui Wang State Key Laboratory of Clean Energy Utilization Institute for Thermal Power EngineeringZhejiang UniversityHangzhou 310027China

The reduction of phosphogypsum(PG)to lime slag and SO_(2)using coke can effectively alleviate the environmental problems caused by ***,the PG decomposition temperature remains high and the product yield remains *** adding additives,the decomposition temperature can be further reduced and PG decomposition rate and product yield can be ***,the use of current additives such as Fe_(2)O_(3)and SiO_(2)brings the problem of increasing economic ***,it is proposed to use solid waste copper slag(CS)as a new additive to reduce PG to prepare SO2,which can reduce the cost and meet the environmental benefits at the same *** effects of proportion,temperature and thermostatic time on PG decomposition are investigated by experimental and kinetic analysis combined with FactSage thermodynamic calculations to optimize the roasting ***,the reaction mechanism is *** is found that adding CS to the coke and PG system can increase the rate of PG decomposition and SO_(2)yield while lowering the PG decomposition *** example,when the CS/PG mass ratio increases from 0 to 1,PG decomposition rate increases from 83.38%to 99.35%,SO_(2)yield increases from 78.62%to 96.81%,and PG decomposition temperature decreases from 992.4℃to 949.6℃.The optimal reaction parameters are CS/PG mass ratio of 1,Coke/PG mass ratio of 0.06 at 1100℃for 20 min with 99.35%PG decomposition rate and 96.81%SO_(2) *** process proceeds according to the following reactions:2CaSO_(4)+ 0.7C + 0.8Fe_(2)SiO_(4)→0.8Ca_(2)SiO_(4)+ 0.2Ca_(2)Fe_(2)O_(5)+ 0.4Fe_(3)O_(4)+2SO_(2)+ 0.7CO_(2)Finally,a process for decomposing PG with coke and CS is proposed.

关键词： Phosphogypsum Sulfur dioxide Copper slag Fluidized-bed Reduction Waste treatment

Resilient control of flexible hypersonic vehicles against unmatched distributed faults

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Chinese Journal of Aeronautics 2024年第5期37卷 60-70页

作者： dong ZHAO Wenjing REN School of Artificial Intelligence Anhui UniversityHefei 230601China Key Laboratory of System Control and Information Processing Ministry of EducationShanghai Jiao Tong UniversityShanghai 200240China School of Electrical Engineering and Automation Hefei University of TechnologyHefei 230009China

This paper studies a robust fault compensation and vibration suppression problem of flexible hypersonic *** controlled plant is represented by a cascade system composed of a nonlinear Ordinary Differential Equation(ODE)and an Euler-Bernoulli Beam Equation(EBBE),in which the vibration dynamics is coupled with the rigid dynamics and suffers from distributed faults.A state differential transformation is introduced to transfer distributed faults to an EBBE boundary and a longitudinal dynamics is refined by utilizing T-S fuzzy IF-THEN rules.A novel T-S fuzzy based fault-tolerant control algorithm is developed and related stability conditions are *** robust exponential stability and well-posedness are proved by using the modified l_(0)-semigroup based Lyapunov direct approach.A simulation study on the longitudinal dynamics of flexible hypersonic vehicles effectively verifies the validity of the developed theoretical results.

关键词： Flexible hypersonic vehicles ODE-EBBE cascade Robust exponential stability Unmatched distributed fault compensation Vibration suppression

Modeling urban scale human mobility through big data analysis and machinelearning

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Building Simulation 2024年第1期17卷 3-21页

作者： Yapan Liu Bing dong Department of Mechanical&Aerospace Engineering Syracuse University263 Link HallSyracuseNY 13244USA

In the United States,the buildings sector consumes about 76%of electricity use and 40% of all primary energy use and associated greenhouse gas *** behavior has drawn increasing research interests due to its impacts on the building energy ***,occupant behavior study at urban scale remains a challenge,and very limited studies have been *** an effort to couple big data analysis with human mobility modeling,this study has explored urban scale human mobility utilizing three months Global Positioning System(GPS)data of 93,o00 users at Phoenix Metropolitan *** research extracted stay points from raw data,and identified users'home,work,and other locations by Density-Based Spatial Clustering ***,daily mobility patterns were constructed using different types of *** propose a novel approach to predict urban scale daily human mobility patterns with 12-hour prediction horizon,using Long Short-Term Memory(LSTM)neural network *** shows the developed models achieved around 85%average accuracy and about 86%mean *** developed models can be further applied to analyze urban scale occupant behavior,building energy demand and flexibility,and contributed to urban planning.

关键词： urban human mobility big data analysis urban scale occupant behavior recurrent neural networks

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乙烯-醋酸乙烯酯体系的汽液相平衡分子模拟

计算机与应用化学 2013年第6期30卷 625-628页

作者：董秀芹姚玲张敏华天津大学石油化工技术开发中心绿色合成与转化教育部重点实验室天津300072

本文采用分子模拟手段对乙烯-醋酸乙烯酯体系的汽液相平衡性质进行了研究。首先,采用量化模拟方法分析了醋酸乙烯酯分子的电子特性,揭示其相互作用特点,并采用格点取样法模拟计算了醋酸乙烯酯分子对构型的分子间相互作用能,拟合了CHo=c(... 详细信息

本文采用分子模拟手段对乙烯-醋酸乙烯酯体系的汽液相平衡性质进行了研究。首先,采用量化模拟方法分析了醋酸乙烯酯分子的电子特性,揭示其相互作用特点,并采用格点取样法模拟计算了醋酸乙烯酯分子对构型的分子间相互作用能,拟合了CHo=c(sp^2)原子基团的非键作用项参数;其次采用GEMC方法,在T=303.15 K,P=310 kPa、724 kPa、1138 kPa条件下对乙烯-醋酸乙烯酯二元混合物体系的汽液相平衡性质进行了模拟考察。模拟值与文献值相对偏差较小,说明采用修正后的力场可以较好地描述醋酸乙烯酯体系的汽液相平衡性质。

关键词：分子模拟 GEMC 分子力场醋酸乙烯酯汽液相平衡

综合评估护理对老年慢性阻塞性肺疾病的肺功能及生活质量的影响

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数理医药学杂志 2018年第11期31卷 1698-1700页

作者：董秀芹河南杞县人民医院开封475200

目的:观察综合评估护理对老年慢性阻塞性肺疾病肺功能及生活质量的影响。方法:选择2016年1月～2016年12月接收并进行治疗的100例患者作为本次相关研究的对象,将其根据综合评估护理干预和呼吸内科常规治疗的方式分为研究组和对照组,对两... 详细信息

目的:观察综合评估护理对老年慢性阻塞性肺疾病肺功能及生活质量的影响。方法:选择2016年1月～2016年12月接收并进行治疗的100例患者作为本次相关研究的对象,将其根据综合评估护理干预和呼吸内科常规治疗的方式分为研究组和对照组,对两组患者进行对比分析。结果:经综合评估护理干预后,研究组患者FEV1、FEV1/FCV、6min步行试验、日常社交评分、日常活动评分、抑郁评分、焦虑评分较对照组见显著改善,研究组急性发作次数也显著低于对照组。结论:综合评估护理可显著改善老年慢性阻塞性肺疾病肺功能及生活质量,延缓病情进展,值得临床推广。

关键词：综合评估护理老年慢性阻塞性肺疾病肺功能生活质量