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181.
We investigate a piecewise linear (area-preserving) mapT describing two coupled baker transformations on two squares, with coupling parameter 0c1. The resulting dynamical system is Kolmogorov for anyc0. For rational values ofc, we construct a generating partition on whichT induces a Markov chain. This Markov structure is used to discuss the decay of correlation functions: exponential decay is found for a class of functions related to the partition. Explicit results are given forc=2–n. The macroscopic analog of our model is a leaking process between two (badly) stirred containers: according to the Markov analysis, the corresponding progress variable decays exponentially, but the rate coefficients characterizing this decay are not those determined from the one-way flux across the cell boundary. The validity of the macroscopic rate law is discussed. 相似文献
182.
采用实验室小型RIM机制备了一组不同芳香二胺扩链的嵌段聚氨酯-脲(PUU)弹性体,借助于IR、DSC、DMTA、SEM以及拉伸试验等测试手段对其结构与性能进行了研究.通过比较由MDA、DETDA以及CAMDA三种不同活性和结构的芳香二胺扩链剂与二异氰酸酯反应形成的硬链段对RIMPUU弹性体的结构与性能的影响,表明:MDA基RIMPUU中软、硬链段微区界面作用指数很小,微相分离程度却很大,其性能最差;DETDA基RIMPUU弹性体有理想的界面作用指数,以及适当的微相分离程度,其性能位于三者之中最佳.DMTA研究证实在一定的温度范围内DETDA基RIMPUU的模量稳定性最好. 相似文献
183.
将快速 Monte Carlo方法与分子动力学方法相结合 ,研究了不同种类有机分子在 Al3P4 O3- 1 6 计量比的二维层状磷酸铝形成中的模板能力 .依据主 -客体之间非键相互作用能 (包括范德华能、氢键能和库仑能 ) ,可合理地解释已知实验现象 ,并能有效地预测出适于形成某一特定无机层结构的有机胺模板剂 .通过选择理论预测的有机胺分子作为模板剂 ,成功地合成了二维层状磷酸铝化合物 Al3P4 O1 6 · 1 .5 H3NC6 H1 0 NH3. 相似文献
184.
Carlos?AlemánEmail author Jordi?CasanovasEmail author 《Colloid and polymer science》2004,282(6):535-543
A theoretical study based on force-field calculations has been performed to investigate the structural preferences of crystalline even nylons n with large and very large aliphatic segments. Atomistic energy calculations and Monte Carlo simulations were carried out considering the conventional and forms of nylons 10, 12, 18, 24, and 32. Results indicated that the form is the most favored for nylons 10, 12, 18, and 24. However, the structure was unstable for nylon 32, a polymer in which the density of hydrogen bonds is almost negligible. In this case, the arrangement is energetically more favored than the one. 相似文献
185.
一种西佛碱侧链型液晶高分子的合成及表征 总被引:2,自引:0,他引:2
一种西佛碱侧链型液晶高分子的合成及表征邹友思,林国良,姚青青,戴李宗,潘容华(厦门大学化学系厦门361005)关键词联苯,西佛碱,侧链型,液晶高分子,基团转移聚合Finkellnann等提出的柔性基去偶合概念’]已在侧链型液晶高分子的研究中得到了证实... 相似文献
186.
水煤气变换反应的微观动力学分析──Cu基催化剂上H_2S中毒失活原因的 Monte Carlo 模拟研究 总被引:1,自引:0,他引:1
用BOCMP方法及MonteCarlo模拟技术,对H2S导致Cu基催化剂失活的原因进行了计算分析。研究结果表明,当原料气中存在H2S时,WGS反应的活化能明显高于无H2S时的活化能,随着表面H2S浓度的增大(θ=0,0.10,0.25),反应的活化能也逐渐变大(其大小比为1∶1.34∶3.3),究其原因可归结为H2S的存在使得反应物分子的吸附热减小,从而使H2O的解离吸附(WGS反应的速控步骤)活化能增大。 相似文献
187.
Electron and photon reflection ratios (in number and energy) for absorbers bombarded by electrons have been computed with the ITS Monte Carlo system version 3. Electrons of energies from 0.1 to 100 MeV have been assumed normally incident on an effectively semi-infinite absorber. The absorbers considered are elemental solids of atomic numbers from 4 to 92. The data on the electron reflection ratios agree rather well with the experimental data collected from literature except some discrepancies when the number-reflection ratio is small. For photons, the number-reflection ratio increases with increasing energy, but the energy-reflection ratio shows a maximum around 10 MeV. Empirical equations for the electron reflection ratios and the photon energy-reflection ratio are given (for electrons, graphs only). 相似文献
188.
René Grouls Wim van de Laar Henk M. J. Goldschmidt Frits G. van Merode 《Accreditation and quality assurance》2004,10(1-2):41-46
Many medical professionals are involved in patient care processes. For pharmaceutical care this results in many information transfer moments. To provide optimal care, communication and information the transfer should be conducted in a timely manner, fully transparent, complete and relevant. The TRANSFORM project is directed towards the development of a reference information model of the pharmaceutical care chain with the aim to improve the availability (time, place, completeness) and access of pharmaceutical information regarding patients, thereby resulting in continuity and quality of pharmaceutical care, reduction in medical errors and improvement in patient safety through the design of a safer healthcare system. TRANSFORM leads to improved insight into the processes and data transfer points in the pharmaceutical chain of care. Focussed on laboratory medicine and pharmacy, the implementation of the integration of laboratory test and pharmacy information may result in major improvements in drug therapy monitoring and guidance (i.e. drug impact monitoring). Because of the overwhelming amount of data generated by this integration of drugs, drug effects and laboratory test results, an online decision support system is warranted.Presented at the 9th Conference on Quality in the Spotlight, 18–19 March 2004, Antwerp, Belgium.The following paper may appear at first sight not to be specifically within the realm of ACQUAL. It has been accepted for publication anyway as it is about reliable handling of data, incl. measurement results, which lead to important decisions (in this case related to a patient). The reliability of handling (a large amount of) measurement results towards a basis for important decisions, is a very important feature of the use of such results.Paul De Bièvre, Editor in Chief 相似文献
189.
190.
通过DSC、X-射线衍射、红外光谱及拉伸试验研究了HDPE与LLDPE、HDPE与LDPE之间的晶相相容性.结果表明,链结构相近的HDPE和LLDPE的晶相相容性好,能形成共晶;而链结构差异较大的HDPE和LDPE的晶相相容性较差,倾向于分别结晶,但有部分链段被对方的晶区夹持.不论是支化度大的LDPE链段插入以HDPE为主的晶区,还是支化度小的HDPE链段插入以LDPE为主的晶区,都可破坏晶区的规整性.共晶的形成使共混物的熔点、结晶度、晶粒体积等低于两组份的线性加和,而力学性能,尤其是断裂伸长率,则显著提高,呈协同效应. 相似文献