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61.
Xiao Xiaohua Cao Yuguan Liu Xia Jiang Shengxiang 《Journal of inclusion phenomena and macrocyclic chemistry》2004,48(3-4):111-115
A PM3 calculation in vacuum of the inclusion complexation ofo-, m-, p-nitro-phenol with calix[n]arenes is performedsuccessfully. The pathways for inclusion process are describedand the most probable structures of the 1:1 complex are soughtthrough a potential energy scan. The energy differences betweenthe inclusion complexes and the hosts, by calculation, show thatthe most stable complexation is calix[4]-p-nitro phenol andcalix[6]-m-nitro phenol. 相似文献
62.
The gas‐transport properties of poly[2,6‐toluene‐2,2‐bis(3,4‐dicarboxylphenyl)hexafluoropropane diimide] (6FDA‐2,6‐DAT) have been investigated. The sorption behavior of dense 6FDA‐2,6‐DAT membranes is well described by the dual‐mode sorption model and has certain relationships with the critical temperatures of the penetrants. The solubility coefficient decreases with an increase in either the pressure or temperature. The temperature dependence of the diffusivity coefficient increases with an increase in the penetrant size, as the order of the activation energy for the diffusion jump is CH4 > N2 > O2 > CO2. Also, the average diffusion coefficient increases with increasing pressure for all the gases tested. As a combined contribution from sorption and diffusion, permeability decreases with increases in the pressure and the kinetic diameter of the penetrant molecules. Even up to 32.7 atm, no plasticization phenomenon can be observed on flat dense 6FDA‐2,6‐DAT membranes from their permeability–pressure curves. However, just as for other gases, the absolute value of the heat of sorption of CO2 decreases with increasing pressure at a low‐pressure range, but the trend changes when the feed pressure is greater than 10 atm. This implies that CO2‐induced plasticization may occur and reduce the positive enthalpy required to create a site into which a penetrant can be sorbed. Therefore, a better diagnosis of the inherent threshold pressure for the plasticization of a glassy polymer membrane may involve examining the absolute value of the heat of sorption as a function of pressure and identifying the turning point at which the gradient of the absolute value of the heat of sorption against pressure turns from a negative value to a positive one. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 354–364, 2004 相似文献
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64.
着重研究了多孔介质BISQ模型中慢纵波的基本特性.给出了BISQ模型下慢纵波速度 和衰减的低频近似公式.与Biot理论对比,BISQ模型中慢纵波的衰减随频率降低急剧增大, 且随喷射流长度的减小而增加;相速度随喷射流长度的减小而增加,其低频极限值不是零; 孔隙流体位移与固相骨架位移之比的幅值随喷射流长度的增加而减小,其相位特点与Biot模 型预测的不同;在流体与孔隙介质的边界上可产生更大的渗流.为对比,同时也给出快纵波 的行为.依据BISQ模型可推断:非黏滞流体饱和孔隙介质中不存在喷射流机理;BISQ模型中
关键词:
多孔介质
喷射流
慢纵波
动力协调 相似文献
65.
研究了多壁碳纳米管(MWNTs)薄膜的湿敏特性,实验所用的多壁碳纳米管是用热灯丝化学气相沉积法(CVD)合成的.分别对未修饰和修饰的多壁碳纳米管膜温度和湿度特性进行研究后发现,修饰的多壁碳纳米管对温度和湿度非常敏感,且对湿度的响应时间和恢复时间短,重复性好.而未修饰的多壁碳纳米管对温度和湿度不太敏感.对修饰多壁碳纳米管的湿敏特性进行了理论分析,给出了其理论表示式.
关键词:
多壁碳纳米管
化学修饰
湿敏特性
物理吸附 相似文献
66.
以金刚石压腔高压装置为工具,用Ⅱ型金刚石作压砧兼红外窗口,对本征态聚苯胺进行了高压(0~8.4 GPa)就位红外光谱测试。结果表明:在4.8~5.2 GPa压力区间,代表醌环振动的吸收峰相对代表苯环振动的吸收峰变小,表明聚苯胺在此压力区间结构上发生了显著变化,且这种变化是不可逆的。聚苯胺的高压(0~14.5 GPa)电阻测量结果表明:当压力小于7.5 GPa时,电阻随压力升高而显著降低,据此认为聚苯胺为电子性导电物质;在7.5 GPa处电阻出现极小值,然后又缓慢升高,至10 GPa后基本不变。推测聚苯胺电阻极小值是由结构变化引起的。至于红外光谱与电阻测量结果反映聚苯胺结构变化的压力值不一致,可能是由于测试条件不同所致。 相似文献
67.
68.
Study on the in—plane electrical resistivity and thermoelectric power in single crystals of La2—xBaxCuO4 下载免费PDF全文
The in-plane electrical resistivity and thermoelectric power have been measured on single crystals of La2-xBaxCuO4 at around x=0.125. The room temperature resistivity and thermopower have their maximum values at x=0.125, indicating that the carrier concentration is the minimum and the carriers are most strongly localized at x=0.125. The observed semiconductor-like behaviour can be well described by the weak-localized quasi-two-dimensional state. The steep rise in electric resistivity of the sample at x=0.125 below 70K is attributed to the formation of static stripe-order of holes and spins, which are pinned by the low-temperature tetragonal (LTT) structure, as discovered in La1.48Nd0.4Sr0.12CuO4. The temperature dependence of electric resistivity below 70K is still well described by the formula ρ∝ lnT. A definite change in the slope of thermopower is observed at the low-temperature orthorhombic-LTT structural phase transition temperature. The origin of the 1/8 anomaly is discussed in the text. 相似文献
69.
70.
The classical perturbation theory is extended to the weighted Kronecker product linear systems W(A? B)Wx =h. Upper bounds are derived for the normwise condition number. 相似文献