分子连接性指数与对饱和一元醇物理化学性质的预测

提出计算饱和一元醇物理化学性质P的定量公式,预测了含10个碳原子以内的饱和一元醇的原子化热ΔHa,气相生成热ΔHgi,摩尔折射Rm,蒸发热ΔHv,摩尔磁化率Xm,沸点B.P.(℃),保留体积logVg和分配系数logP等8项物理化学性质.     

饱和一元醇物理化学性质的定量探讨

拓扑指数ｘｚ、路径数ｐ１和ｓ１、ｓ２是表征饱和一元醇分子大小、支化度、形状和羟基位置等结构特征的重要参量．本文提出计算饱和一元醇物理化学性质Ｐ的定量公式为：Ｐ＝ａ０＋ａ１ｐ１＋ａ２ｘ２／３ｚ＋ａ３ｓ１＋ａ４ｓ２式中ａ０、ａ１、ａ２、ａ３和ａ４为系数,对于某一物理化学性质为一定值．本文预测了含１０个碳原子以内的饱和一元醇的原子化热ΔＨａ、气相生成热ΔＨｇｔ、摩尔折射Ｒｍ、蒸发热ΔＨｖ、摩尔磁化率ＸＭ、液体密度Ｄ２０４、沸点Ｂ．Ｐ．、保留体积ｌｏｇＶｇ和分配系数ｌｏｇＰ等９项物理化学性质．     

饱和一元卤代烃物理化学性质的定量探讨

本文采用一种改进的分子连接性指数，研究了饱和一元卤代烃物理化学性质p和一阶项分子连接性指数∧1x的关系，即有p=a b∧1x式中，a和b为系数，对于某一物理化学性质为一定值，本文预测了含10个碳原子以内的饱和一元卤代烃的摩尔折射Rm、沸点B.P.和水溶解度lgS等3项物理化学性质，其计算值和实验值是吻合或很接近的。     

液体饱和蒸汽压的测定实验数据处理

根据物理化学知识,我们知道液体的温度与饱和蒸汽压的函数关系应服从克劳修斯—克莱普朗方程:IhP=(-△H/R)·(1/T)+C(1)其中:P为液体的饱和蒸汽压(Pa);T为液体的绝对温度(K);△H为液体的平均摩尔汽化热(J/mol);C为常数;R为气体常数.     

单烯烃物理化学性质的定量探讨

路径数p1、拓扑指数xz,s1和s2等参量,是表征单烯烃分子大小,支化度,形状和碳双键位置等结构特征的重要参量,本文提出计算单烯烃物理化学性质P的定量公式为P＝a0 a1p1 a2xz^2/3 a3s1 a4s2预测了10个碳原子以内的单烯烃的原子化热△Ha(KJ.mol^-1)、摩尔折射Rm、氢化热△H（KJ.mol^-1)、密度ρ(g.cm^-3)(20℃）、直链单烯烃的分配系数logP和直链－1－单烯烃的沸点B．P．C（℃）等6项物理化学性质。     

饱和一元羧酸物理化学性质的定量探讨

拓朴指数 p_1、s_1 和s_2 是表征饱和一元羧酸分子大小、支分度、形状等结构特征的重要参量．本文提出计算饱和一元羧酸物理化学性质p 的定量公式为： 式中，a、b、c 和d是系数，对于某一物理化学性质为一定值．本文预测了含18个碳原子以内的饱和一元羧酸的相对密度D_4~(20) (g ( cm~(-3))、分配系数log p、熔点m.p.((C)、沸点b.p.((C)、在水溶液中的pka值和在水中的溶解度log s等6项物理化学性质．     

三种非质子酸催化剂的催化性能考察

用考察考察了氧化亚锡、钛酸四丁酯和六水合三氯化铁等3种非质子酸催化剂在石油酸酯化反应中的催化性能。结果表明，在180－230℃下，石油酸与一元醇的摩尔比为0．5，氧化亚锡或钛酸四丁酯用量占石油酸用量的1％－2％，反应3－4h4后都可使石油酸的酯化反应率达99％。在石油酸与二元醇的摩尔比为2．2时，氧化亚锡用量占石油酸用量的2％，反应4h可使二元醇烃基的酯化率达99％。氧化亚锡可重复使用，且酸液的后处理工艺简单。在120－140℃下，石油酸与一元醇的摩尔比为0．33－0．40，六水合三氯化铁的用量占石油酸用量的21％，反应4h可使石油酸的酯化率达到98％。     

两个物理化学实验数据回归分析

在物理化学实验中处理不同温度下液体饱和蒸气压实验数据时,通常用气化热△H为常数的公式处理。     

对化学热力学几个问题的探讨

一、相变与化学变化的热力学性质的异同相变是物理变化，化学反应是化学变化。物理化学中热力学的研究对象是发生物理和（或）化学变化的体系，因此从热力学的角度考虑，相变和化学变化有许多相同之处，如两者在热效应（△Ｈ）与温度的关系、吉布斯自由能变（△Ｇ）与温度的关系等方面可以用完全相同的方法进行处理。１．热效应与温度的关系若化学反应表示为：　　　０＝νＢＢ根据基尔霍夫定律，△Ｈ与温度的关系为：　　　（△Ｈ）ＴＰ＝νＢＣｐ．ｍ．в对于相变体系，如Ｈ２Ｏ（１）Ｈ２Ｏ（ｇ）　　　△Ｈ＝Ｈ（ｇ）－Ｈ（１）…     

浓盐体系的研究—皂化反应混合物含量的测定

应用浓盐体系反应原理研究了在物理化学实验课中皂化反应混合物含量的测定问题，表明在饱和NaCl的作用下，当NoOH与NaAc的摩尔之比在1－2时，获得最佳的实验效果，同时在实验中也取得了很好的效果。     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that     

On the Thermodynamic Limit for Responses to Static Electromagnetic Fields

For molecular systems,the quantum-mechanical treatment of their responses to static electromagnetic fields usually employs a scalar-potential treatment of the electric field and a vector-potential treatment of the magnetic field.Although the potential for each field separately is associated with the choice of an(unphysical)origin,the precise choice of the origin for the electrostatic field has little consequences for the results.This is different for the     

Call for Papers

<正>"The Journal of Shanghai Normal University:Mathematics"is published by Shanghai Normal University as regular issues of The Journal of Shanghai Normal University each year from 2014 in English.The editors-in-chief of the issues are professors Yuhao Cong and Maoan Han.The Journal of Shanghai Normal University was started in 1958 with     

Journal of Donghua University ( English Edition) Contents of Volume 31

正~~