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嵌段共聚高分子系统微观相变的Monte Carlo模拟 被引量:9
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作者 冯捷 蔡钧 +1 位作者 刘洪来 胡英 《华东理工大学学报(自然科学版)》 EI CAS CSCD 北大核心 2000年第4期421-424,共4页
对高浓度高分子系统的 Monte Carlo模拟算法和高分子链的微松弛模式进行了分析比较 ,采用键长涨落模型空穴扩散法对无热高分子系统的平均末端距和对称共聚高分子系统的微观相结构进行了模拟 ,发现去除或保留中间链节蛇行运动 ,得到的模... 对高浓度高分子系统的 Monte Carlo模拟算法和高分子链的微松弛模式进行了分析比较 ,采用键长涨落模型空穴扩散法对无热高分子系统的平均末端距和对称共聚高分子系统的微观相结构进行了模拟 ,发现去除或保留中间链节蛇行运动 ,得到的模拟结果有一定的差别。去除该运动模式得到的平均末端距、标度指数及共聚高分子系统的微观层状结构的层间距要比保留该运动模式的大 ,表明中间链节的蛇行运动会导致高分子链的过分收缩。 展开更多
关键词 微观相变 蒙特卡罗模拟 嵌段共聚高分子系统
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平板狭缝中两嵌段共聚高分子微观相变的Monte Carlo模拟 被引量:5
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作者 冯捷 刘洪来 胡英 《化工学报》 EI CAS CSCD 北大核心 2002年第4期401-406,共6页
采用改进的键长涨落空穴扩散算法对平板狭缝中的对称两嵌段共聚高分子熔体的微相分离形态、密度分布以及结构因子进行了MonteCarlo(MC)模拟 .模拟结果表明 :在不同性质壁面的平板狭缝中对称两嵌段共聚高分子熔体的微相结构都是层状的 ,... 采用改进的键长涨落空穴扩散算法对平板狭缝中的对称两嵌段共聚高分子熔体的微相分离形态、密度分布以及结构因子进行了MonteCarlo(MC)模拟 .模拟结果表明 :在不同性质壁面的平板狭缝中对称两嵌段共聚高分子熔体的微相结构都是层状的 ,但其取向由壁面性质决定 ,对称中性壁面形成垂直于壁面的层状结构 ,对称选择性吸引壁面以及非对称的选择性吸引和选择性排斥壁面组合导致平行于壁面的层状结构 ,而非对称的选择性吸引和中性壁面的组合形成的层状结构 ,在吸引壁一侧平行于壁面、在中性壁一侧则垂直于壁面 . 展开更多
关键词 嵌段共聚物 微观相变 MONTE CARLO模拟 格子模型
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不对称两嵌段共聚物熔体在平板狭缝中微相分离的Monte Carlo模拟 被引量:5
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作者 冯捷 孟世鸿 +1 位作者 刘洪来 胡英 《功能高分子学报》 CAS CSCD 2001年第1期1-6,共6页
采用改进的键长涨落空穴扩散算法对平板狭缝中不对称两嵌段共聚高分子熔体的微相分离进行了MonteCarlo模拟。模拟结果表明 :在强吸引壁条件下 ,靠近壁面处将形成平行于壁面的层状相 ;在弱吸引壁条件下 ,靠近壁面处将形成垂直于壁面的层... 采用改进的键长涨落空穴扩散算法对平板狭缝中不对称两嵌段共聚高分子熔体的微相分离进行了MonteCarlo模拟。模拟结果表明 :在强吸引壁条件下 ,靠近壁面处将形成平行于壁面的层状相 ;在弱吸引壁条件下 ,靠近壁面处将形成垂直于壁面的层状相 ;不对称共聚物在远离壁面处有丰富的微区形态。从结构因子上分析可知 ,弱吸引壁条件下不对称共聚物的结构比强吸引壁条件下更接近对称共聚物。 展开更多
关键词 两嵌段共聚物 微观相变 Monter CARLO模拟 平板狭缝 分离 高分子熔体
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雷暴电活动对冰雹增长影响的数值模拟研究 被引量:16
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作者 张义军 孙安平 +3 位作者 言穆弘 郭凤霞 郄秀书 黄美元 《地球物理学报》 SCIE EI CAS CSCD 北大核心 2004年第1期25-32,共8页
利用三维强风暴动力 -电耦合模式 ,数值模拟了风暴演变过程中电活动对冰雹增长及地面降雹的影响 .结果指出 ,带电冰雹与云内强电场作用使地面降雹量增加约 5 0 % ,雹块直径增大 0 .7mm ,降雹时间滞后约 3min .文中还讨论了强电场通过对... 利用三维强风暴动力 -电耦合模式 ,数值模拟了风暴演变过程中电活动对冰雹增长及地面降雹的影响 .结果指出 ,带电冰雹与云内强电场作用使地面降雹量增加约 5 0 % ,雹块直径增大 0 .7mm ,降雹时间滞后约 3min .文中还讨论了强电场通过对水成物降落速度的调制来影响冰雹微观增长过程 ,即主要是影响碰并过程和冰雹融化过程 .电活动使冰雹源、汇总量都减少 ,但汇总量减少更多 ,总体效果使冰雹总量增加 ,数目减少 ,冰雹长得更大 。 展开更多
关键词 雷暴电活动 冰雹 数值模拟 电荷结构 微观相变
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Mechanism of microwave assisted suspension magnetization roasting of oolitic hematite ore 被引量:7
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作者 ZHOU Wen-tao SUN Yong-sheng +2 位作者 HAN Yue-xin GAO Peng LI Yan-jun 《Journal of Central South University》 SCIE EI CAS CSCD 2022年第2期420-432,共13页
Oolitic hematite is an iron ore resource with rich reserves,complex composition,low grade,fine disseminated particle sizes,and a unique oolitic structure.In this study,a microwave-assisted suspension magnetization roa... Oolitic hematite is an iron ore resource with rich reserves,complex composition,low grade,fine disseminated particle sizes,and a unique oolitic structure.In this study,a microwave-assisted suspension magnetization roasting technology was proposed to recover and utilize the ore.The results showed that under the conditions of microwave pretreatment temperature of 1050℃ for 2 min,a magnetic concentrate with an iron grade of 58.72%at a recovery of 89.32%was obtained by microwave suspension magnetization roasting and magnetic separation.Moreover,compared with the no microwave pretreatment case,the iron grade and recovery increased by 3.17%and 1.58%,respectively.Microwave pretreatment increased the saturation magnetization of the roasted products from 24.974 to 39.236(A∙m^(2))/kg and the saturation susceptibility from 0.179×10^(−3) m^(3)/kg to 0.283×10^(−3) m^(3)/kg.Microcracks were formed between the iron and gangue minerals,and they gradually extended to the core of oolite with the increase in the pretreatment time.The reducing gas diffused from outside to inside along the microcracks,which promoted the selective transformation of the weak magnetic hematite into the strong magnetic magnetite. 展开更多
关键词 oolitic hematite MICROWAVE suspension magnetization roasting phase and magnetic transformation microstructure evolution
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Siderite pyrolysis in suspension roasting:An in-situ study on kinetics,phase transformation,and product properties 被引量:5
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作者 ZHANG Qi SUN Yong-sheng +2 位作者 QIN Yong-hong GAO Peng YUAN Shuai 《Journal of Central South University》 SCIE EI CAS CSCD 2022年第6期1749-1760,共12页
Siderite,as an abundant iron ore,has not been effectively utilized,with a low utilization rate.In this study,the in-situ kinetics and mechanism of siderite during suspension magnetization roasting(SMR)were investigate... Siderite,as an abundant iron ore,has not been effectively utilized,with a low utilization rate.In this study,the in-situ kinetics and mechanism of siderite during suspension magnetization roasting(SMR)were investigated to improve the selective conversion of siderite to magnetite and CO,enriching the theoretical system of green SMR using siderite as a reductant.According to the gas products analyses,the peak value of the reaction rate increased with increasing temperature,and its curves presented the feature of an early peak and long tail.The mechanism function of the siderite pyrolysis was the contraction sphere model(R_(3)):f(α)=3(1−α)2/3;E_(α)was 46.4653 kJ/mol;A was 0.5938 s^(−1);the kinetics equation was k=0.5938exp[−46.4653/(RT)].The in-situ HT-XRD results indicated that siderite was converted into magnetite and wüstite that exhibited a good crystallinity in SMR under a N_(2) atmosphere.At 620℃,the saturation magnetization(M_(s)),remanence magnetization(Mr),and coercivity(Hc)of the product peaked at 53.63×10^(-3)A·m^(2)/g,10.23×10^(-3)A·m^(2)/g,and 12.40×10^(3)A/m,respectively.Meanwhile,the initial particles with a smooth surface were transformed into particles with a porous and loose structure in the roasting process,which would contribute to reducing the grinding cost. 展开更多
关键词 SIDERITE suspension magnetization roasting reaction kinetics phase transformation magnetic transition microstructure evolution
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Microscopic phase-field simulation for coarsening behavior of Ll_2 and DO_(22)phases of Ni_(75)Cr_xAl_(25-x) alloy
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作者 卢艳丽 陈铮 张静 《Journal of Central South University of Technology》 2008年第4期443-448,共6页
Based on the microscopic phase-field dynamic model and the microelasticity theory,the coarsening behavior of L12 and DO22 phases in Ni75CrxAl25-x alloy was simulated.The results show that the initial irregular shaped,... Based on the microscopic phase-field dynamic model and the microelasticity theory,the coarsening behavior of L12 and DO22 phases in Ni75CrxAl25-x alloy was simulated.The results show that the initial irregular shaped,randomly distributed L12 and DO22 phases are gradually transformed into cuboidal shape with round corner,regularly aligned along directions[100]and[001],and highly preferential selected microstructure is formed during the later stage of precipitation.The elastic field produced by the lattice mismatch between the coherent precipitates and the matrix has a strong influence on the coarsening kinetics,and there is no linear relationship between the cube of the average size of precipitates and the aging time,which does not agree with the results predicted by the classical Lifshitz-Slyozov-Wagner.The coarsening processes of L12 and DO22 phases are retarded in elastically constrained system.In the concurrent system of L12 and DO22 phases,there are two types of coarsening modes:the migration of antiphase domain boundaries and the interphase Ostwald ripening. 展开更多
关键词 Ni75CrxAl25-x alloy coarsening behavior microscopic phase-field elastic strain coherent precipitates
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