多相平衡规律在树脂再生过程中的应用研究

借助于三相平衡体系的性能分析，提出了一步法复苏再生阴离子交换树脂的新思路，从而实现阴离子交换树脂的再生和有机污染去除的同步性．对三相再生体系的再生能力，循环再生能力和树脂的有机污染去除能力进行了研究，并进行了基本性能测试和理论分析．结果表明三相再生体系能够很好的保持再生和循环再生效果，缓解了树脂的有机污染，一步复苏再生法具有理论可行性。     

V_2O_5催化剂上甲醇乙醇一步合成醛类化合物的研究

在固定床反应器上研究了V2O5催化剂上甲醇、乙醇一步催化合成异丁醛等醛类化合物的反应。当反应在常压、350℃、进料比n(甲醇)/n(乙醇)=2、空速2.0h-1条件下进行时,乙醇转化率为89.05%,总醛产率达87.3%,其中异丁醛、乙醛、丙醛产率分别为16.71%、52.03%、18.56%,其余为丙醇、甲醛等化合物。当空速降为为0.5h-1时,乙醇转化率达到97.04%,异丁醛产率达29.07%,但总醛收率降为69.6%。该反应系统的反应历程被探讨。     

有机碱对莰烯直接乙酰化的影响

研究了在含氮有机碱存在下的莰烯直接乙酰化反应，结果表明，在反应中加入与莰烯等摩尔的六氢吡啶，有利于莰烯乙酰化反应，在反应液中的酰化产物ω－乙酰基莰烯含量最高达到56％，大大超过异构化产物乙酸异冰片酯。     

一步法硅烷接枝交联改性聚丙烯的研究

采用反应挤出法一步实现聚丙烯（PP）的硅烷接枝和交联改性，制备出了具有部分交联结构的高熔体强度PP。通过改性前后红外光谱、熔体流动性能、凝胶含量、结晶行为、力学性能和发泡性能的变化考察了改性对材料性能的影响。结果表明，一步法改性后PP大分子中引入了硅烷接枝交联结构，使熔体强度、熔体黏度提高，熔体流动速率显著降低，并且体系中出现了高达48％的凝胶；交联结构的引入使PP的结晶速率减缓；改性后材料的力学性能有所提高，而发泡性能大大改善，可以获得高质量的泡沫塑料。     

Preparation of Mesoporous Ni–alumina Catalyst by One-step Sol–gel Method: Control of Textural Properties and Catalytic Application to the Hydrodechlorination of o-dichlorobenzene

Mesoporous Ni–alumina catalysts (Ni–alumina-pre and Ni–alumina-post) were synthesized by one-step sol–gel method using micelle complex comprising lauric acid and nickel ion as a template with metal source and using aluminum sec-butoxide as an aluminum source. The Ni–alumina catalysts showed relatively high surface areas (303 m²/g for Ni–alumina-pre and 331 m²/g for Ni–alumina-post) and narrow pore size distributions centered at ca. 4 nm. Highly dispersed Ni particles were observed in the Ni–alumina catalysts (ca. 5.2 nm for Ni–alumina-pre and ca. 6.8 nm for Ni–alumina-post) after reduction at 550 °C, while a catalyst prepared without a template (NiAl-comp) exhibited inferior porosity with large metal particles (ca. 12.3 nm). Mesoporous Ni–alumina catalysts with different porosity were obtained by employing different hydrolysis step of aluminum source. When aluminum source was hydrolyzed under the presence of micelle complex, a supported Ni catalyst with highly developed framework mesoporosity was obtained (Ni–alumina-post). On the other hand, when aluminum source was pre-hydrolyzed followed by mixing with micelle solution, the resulting catalyst (Ni–alumina-pre) retained high portion of textural porosity. It was revealed that the hydrolysis method employed in this research affected not only textural properties but also metal-support interaction in the Ni–alumina catalysts. It was also found that the Ni–alumina-pre catalyst exhibited weaker interaction between nickel and alumina than the Ni–alumina-post, leading to higher degree of reduction in the Ni–alumina-pre catalyst. In the hydrodechlorination of o-dichlorobenzene, the Ni–alumina catalysts exhibited better catalytic performance than the NiAl-comp catalyst, which was attributed to higher metal dispersion in the Ni–alumina catalysts. In particular, the Ni–alumina-pre catalyst showing 1.5 times higher degree of reduction and larger amounts of o-dichlorobenzene adsorption exhibited better catalytic performance than the Ni–alumina-post catalyst.     

应用一步流动法快速测定土水特征曲线试验研究

实验室常用压力板仪进行常规试验测定粉土土水特征曲线（SWCC）,需耗费数月时间,效率不高。对快速测定粉土SWCC进行了试验研究：采用压力板仪对粉土试样开展一步流动法试验;同时,用Hydrus-1D建立一维水分运移模型;结合模型对干密度为1.78 g/cm3粉土试样中溢出水量随加压时间的关系曲线进行拟合,并得出VG模型中难以实测的参数α和n;根据参数反算出粉土试样SWCC并和压力板仪常规试验的SWCC进行对比。为了消除试验中加载压力过大可能造成的固结对试验结果的影响,还对干密度为1.65 g/cm3的粉土试样进行固结试验使其干密度增大为1.78 g/cm3,再对固结后粉土试样分别进行常规试验和一步流动法试验。对由两种试验得到的固结粉土的SWCC与初始干密度1.78 g/cm3粉土由两种试验实测的SWCC进行了比较。结果表明：① 一步流动法试验拟合的SWCC与常规试验实测的SWCC重合度高;② 一步流动法试验具有快速性和有效性;③ 由Hydrus-1D建立的一维水分运移模型得出的SWCC与常规试验实测的SWCC接近;④ 一步流动法试验结果不会受到固结的影响。     

一步成形有限元法在确定毛坯初始形状中的应用

一步成形有限元法，是从产品的形状出发，将其作为成形后工件的中面并对其离散，通过有限元方法确定在满足一定边界条件下，工件中的节点在初始毛坯中的位置。由一步成形有限元法可以得到对应的毛坯形状，通过计算毛坯结点到工件上的位移可得到工件上的应力和应变。此法计算速度快，不需要模具和工艺信息，建立分析模型简单，可用于板料成形设计早期，用来估计零件的成形性能。     

不同合成过程对溶胶-凝胶法制备的ZnO/Ag纳米复合材料光催化性能的影响

以乙酸锌、硝酸银为前驱体,二乙醇胺作为稳定剂,利用溶胶-凝胶法分别采用一步法和两步法制备得到ZnO以及ZnO/Ag纳米复合粉体。所有ZnO/Ag复合物中Ag的含量均为3%(摩尔分数)。对所制备样品的结构和光学性质通过XRD、SEM、TEM、XPS、PL、UV-vis进行了表征,进而以甲基橙为模拟污染物进行了光催化测试。结果表明,不同方法制备得到的ZnO/Ag纳米粉体晶粒均匀,无明显团聚现象,面心立方结构的金属Ag吸附在纤锌矿结构的ZnO表面形成异质结。与纯ZnO相比,掺Ag极大地改善了样品在紫外光下的光催化活性。对不同合成工艺的比较表明,用溶胶-凝胶一步法制备的ZnO/Ag复合物的光催化活性最高,经紫外光照射70min可完全降解甲基橙。     

Optimality of an error estimate of a one-step numerical integration method for certain initial value problems

In a recent paper, an error estimate of a one-step numerical method, originated from the Lanczos tau method, for initial value problems for first order linear ordinary differential equations with polynomial coefficients, was obtained, based on the error of the Lanczos econo-mization process. Numerical results then revealed that the estimate gives, correctly, the order of the tau approximant being sought. In the present paper we further establish that the error estimate is optimum with respect to the integration of the error equation. Numerical examples are included for completeness.     

局部减缩积分曲面展开单元在某汽车翼子板一步成形模拟中的应用

为了进一步提高一步成形模拟的计算精度和避免单元的剪切闭锁,提出改进型曲面展开四节点等参膜单元模型,即在单元内力计算中采用了局部减缩积分技术,对现有算法进行了改进。将该方法用于某汽车翼子板成形模拟,并与增量法模拟结果及实验结果进行了对比。结果表明,改进后的一步成形模拟结果与增量模拟结果非常接近,而计算时间不到增量法的1/30,进而验证了本文方法的有效性和实用性。