有机化合物液体等压热容的关联和预测

根据液体等压热容的定义,在Rackett方程的基础上,导出了有机化合物液体等压热容的关联式。利用该模型计算了46种有机物318个数据点的液体等压热容,计算值与实验值的总平均相对偏差为3.92%,计算准确性优于文献方法;该方法适用于各种有机化合物在不同温度下液体等压热容的预测;方法简单方便,利用被估算有机化合物的摩尔质量、临界温度、临界压力、标准沸点、标准熔点、临界压缩因子和偏心因子等易查取的物性数据,不需要物质理想气体等压热容数据就可以直接预测该液体物质在不同温度下的等压热容。     

气相声速测量偏差对导出热力学性质的影响

气相声速是测量准确度最高的热物性之一,并可以导出理想气体比定压热容和第二维里系数等其他热力学性质。分析了定程干涉法中存在的系统偏差,建立了绝对系统偏差(δFAE)和相对系统偏差(δFFE)对导出热力性质影响的数学模型,并开展了模拟计算。研究结果表明,理想气体比热容比受绝对系统偏差的影响为2δFAE,但是绝对系统偏差对多原子气体的理想气体比定压热容的影响大,可高于-100δFAE,且温度越高,影响越大;相对系统偏差主要影响声速维里系数,在温度和相对系统偏差相同时,不同工质的第二声速维里系数的绝对变化量相同。绝对系统偏差和相对系统偏差在导出第二维里系数中的影响较小。     

MS分子模拟软件在有机化学立体异构教学中的应用

以2-溴丁烷分子为例,介绍了Material Studio(MS)分子模拟软件中Visualizer、Forcite、Conformers三个功能模块在有机分子空间构象及卤代烷E2消除反应中的教学应用,帮助学生辨析有机化学中有关构型异构、构象异构等易混淆的抽象概念,充分认识卤代烷消除反应中的立体化学现象,从定性、定量的角度为深入理解由于立体异构所导致的有机物化学反应行为机理奠定基础。     

无机物液体等压热容的关联

根据液体等压热容的定义,在修正的Rackett方程的基础上,导出了无机化合物液体等压热容的关联式。利用该模型计算了14种无机物102个数据点的液体等压热容,计算值与实验值的总平均相对偏差为3.21%,计算准确性优于文献方法;该方法适用于各种无机化合物在不同温度下液体等压热容的估算;方法简单方便,根据摩尔质量、临界温度、临界压力、标准沸点、标准熔点和偏心因子等易查取的物性数据,不需要理想气体等压热容数据就可以直接估算该无机物液体不同温度下的等压热容。     

高级烷醇的分子结构与气相色谱保留指数关系的研究[摘]

本文用均一位势模型理论,把高级烷醇的气相色谱保留指数与摩尔分子折射度相关联,得到了I_i=a+bR_(A·i)计算式。从而预测一定条件下高级烷醇保留指数。通过实验对     

气相声速测量偏差对导出热力学性质的影响

气相声速是测量准确度最高的热物性之一,并可以导出理想气体比定压热容和第二维里系数等其他热力学性质。分析了定程干涉法中存在的系统偏差,建立了绝对系统偏差（δ_FAE）和相对系统偏差（δ_FFE）对导出热力性质影响的数学模型,并开展了模拟计算。研究结果表明,理想气体比热容比受绝对系统偏差的影响为2δ_FAE,但是绝对系统偏差对多原子气体的理想气体比定压热容的影响大,可高于-100δ_FAE,且温度越高,影响越大;相对系统偏差主要影响声速维里系数,在温度和相对系统偏差相同时,不同工质的第二声速维里系数的绝对变化量相同。绝对系统偏差和相对系统偏差在导出第二维里系数中的影响较小。     

Keggin结构钨钼钒锗多元杂多配合物的合成研究

合成了A5GeW9Mo2 VO4 0 ·nH2 O[NH4 ,(CH3) 4N(TMA) ,(C2 H5) 4N(TEA) ,(C4 H9) 4N(TBA) ,CH3(CH2 ) 15(CH3) 3N(HDTMA) ]、M5GeW9Mo2 VO4 0 ·nH2 O(M =Na ,K ,Cs,Ag)、M2 .5GeW9Mo2 VO4 0 ·nH2 O(Co,Cu ,Mn ,Ba)、A5GeW10 MoVO4 0 ·nH2 O(NH4 ,TMA ,TBA ,HDTMA)、M5GeW10MO2 VO4 0 ·nH2 O(Co ,Ni,Cu ,Mn ,Ba)、A5GeW10 MoVO4 0 ·nH2 O(NH4 ,TMA ,TEA ,TBA ,HDTMA)、M5GeW10 MoVO4 0 ·nH2 O(M =Na ,K ,Cs)、M2 .5GeW10 MoVO4 0 ·nH2 O(Co,Ni,Cu,Mn)共 2 6种钨钼钒锗多元杂多配合物。利用元素化学分析和ICP相结合方法、IR等手段对配合物进行了初步表征     

一种多功能表面活性剂的合成

以长链烷基替代EDTA分子中的一个乙酸基，使其改性为既具表面活性又有络合金属离子能力的多功能表面活性剂。合成分两步，先以乙二胺、溴代烷为原料，合成了中间体N－长链烷基乙二胺(R-en)，然后R－en和氯乙酸反应生成了N－长链烷基乙二胺三乙酸钠盐（RNa3edta)。用正交实验法探讨了R－en的合成条件为：n(乙二胺）：n（溴代烷）＝（2.5-3.0)：1．0，反应温度为60℃，反应时间为8－10h，其收率均达98％。终产品合成条件为n(R-en):n（氯乙酸）＝1．05：2，反应时间为10h，反应温度为80℃，收率达86％。并通过红外光谱、核磁共振氢谱对终产品结构进行了初步确认。     

混合制冷剂比定压热容的理论推算

利用状态方程,采用余函数法对混合制冷剂的比定压热容进行了推算。根据热力学普遍关系式推导了用通用性好、精度高的Peng-Robinson状态方程推算实际流体比定压热容的计算公式。以混合制冷剂HFC152a/HCFC22、HFC152a/HFC32和HFC134a/HFC152a为例,计算了其比定压热容,并与实验数据进行了比较。结果表明:液态HFC152a/HCFC22在温度区间303.15—353.15 K总平均偏差为12.90%;液态HFC152a/HFC32在温度区间313.15—353.15 K的总平均偏差为17.91%;气态HFC134a/HFC152a在温度区间298.15—423.15 K总平均偏差为2.93%。该法可以用于混合工质的比定压热容的理论推算。     

N-烷基乙二胺的制备及表征

以乙二胺和卤代烷为原料在碱性条件下发生双分子亲核取代反应,合成N-烷基乙二胺,合成产率89.05%。用元素分析、红外光谱和核磁共振波谱对合成的AEDA分子的组成和结构等进行了检测和分析,与预期合成产物AEDA结构吻合。     

Insect antifeedant properties of anthranoids from the genusVismia

Vismiones and ferruginins, representatives of a new class of lypophilic anthranoids from the genusVismia were found to inhibit feeding in larvae of species ofSpodoptera, Heliothis, and inLocusta migratoria.     

Direct observation of freeze-thaw instability of latex coatings via high pressure freezing and cryogenic SEM

Despite its industrial importance, the subject of freeze-thaw (F/T) stability of latex coatings has not been studied extensively. There is also a lack of fundamental understanding about the process and the mechanisms through which a coating becomes destabilized. High pressure (2100 bar) freezing fixes the state of water-suspended particles of polymer binder and inorganic pigments without the growth of ice crystals during freezing that produce artifacts in direct imaging scanning electron microscopy (SEM) of fracture surfaces of frozen coatings. We show that by incorporating copolymerizable functional monomers, it is possible to achieve F/T stability in polymer latexes and in low-VOC paints, as judged by the microstructures revealed by the cryogenic SEM technique. Particle coalescence as well as pigment segregation in F/T unstable systems are visualized. In order to achieve F/T stability in paints, latex particles must not flocculate and should provide protection to inorganic pigment and extender particles. Because of the unique capabilities of the cryogenic SEM, we are able to separate the effects of freezing and thawing, and study the influence of the rate of freezing and thawing on F/T stability. Destabilization can be caused by either freezing or thawing. A slow freezing process is more detrimental to F/T stability than a fast freezing process; the latter actually preserves suspension stability during freezing. Presented at the 82nd Annual Meeting of the Federation of Societies for Coatings Technology, October 27–29, 2004 in Chicago, IL. Tied for first place in The John A. Gordon Best Paper Competition.     

Ethanol and (−)-α-Pinene: Attractant Kairomones for Bark and Ambrosia Beetles in the Southeastern US

In 2002–2004, we examined the flight responses of 49 species of native and exotic bark and ambrosia beetles (Coleoptera: Scolytidae and Platypodidae) to traps baited with ethanol and/or (−)-α-pinene in the southeastern US. Eight field trials were conducted in mature pine stands in Alabama, Florida, Georgia, North Carolina, and South Carolina. Funnel traps baited with ethanol lures (release rate, about 0.6 g/day at 25–28°C) were attractive to ten species of ambrosia beetles (Ambrosiodmus tachygraphus, Anisandrus sayi, Dryoxylon onoharaensum, Monarthrum mali, Xyleborinus saxesenii, Xyleborus affinis, Xyleborus ferrugineus, Xylosandrus compactus, Xylosandrus crassiusculus, and Xylosandrus germanus) and two species of bark beetles (Cryptocarenus heveae and Hypothenemus sp.). Traps baited with (−)-α-pinene lures (release rate, 2–6 g/day at 25–28°C) were attractive to five bark beetle species (Dendroctonus terebrans, Hylastes porculus, Hylastes salebrosus, Hylastes tenuis, and Ips grandicollis) and one platypodid ambrosia beetle species (Myoplatypus flavicornis). Ethanol enhanced responses of some species (Xyleborus pubescens, H. porculus, H. salebrosus, H. tenuis, and Pityophthorus cariniceps) to traps baited with (−)-α-pinene in some locations. (−)-α-Pinene interrupted the response of some ambrosia beetle species to traps baited with ethanol, but only the response of D. onoharaensum was interrupted consistently at most locations. Of 23 species of ambrosia beetles captured in our field trials, nine were exotic and accounted for 70–97% of total catches of ambrosia beetles. Our results provide support for the continued use of separate traps baited with ethanol alone and ethanol with (−)-α-pinene to detect and monitor common bark and ambrosia beetles from the southeastern region of the US.     

Methyl 2,4,6-decatrienoates Attract Stink Bugs and Tachinid Parasitoids

Halyomorpha halys (Stål) (Pentatomidae), called the brown marmorated stink bug (BMSB), is a newly invasive species in the eastern USA that is rapidly spreading from the original point of establishment in Allentown, PA. In its native range, the BMSB is reportedly attracted to methyl (E,E,Z)-2,4,6-decatrienoate, the male-produced pheromone of another pentatomid common in eastern Asia, Plautia stali Scott. In North America, Thyanta spp. are the only pentatomids known to produce methyl 2,4,6-decatrienoate [the (E,Z,Z)-isomer] as part of their pheromones. Methyl 2,4,6-decatrienoates were field-tested in Maryland to monitor the spread of the BMSB and to explore the possibility that Thyanta spp. are an alternate host for parasitic tachinid flies that use stink bug pheromones as host-finding kairomones. Here we report the first captures of adult and nymph BMSBs in traps baited with methyl (E,E,Z)-2,4,6-decatrienoate in central Maryland and present data verifying that the tachinid, Euclytia flava (Townsend), exploits methyl (E,Z,Z)-2,4,6-decatrienoate as a kairomone. We also report the unexpected finding that various isomers of methyl 2,4,6-decatrienoate attract Acrosternum hilare (Say), although this bug apparently does not produce methyl decatrienoates. Other stink bugs and tachinids native to North America were also attracted to methyl 2,4,6-decatrienoates. These data indicate there are Heteroptera in North America in addition to Thyanta spp. that probably use methyl 2,4,6-decatrienoates as pheromones. The evidence that some pentatomids exploit the pheromones of other true bugs as kairomones to find food or to congregate as a passive defense against tachinid parasitism is discussed.     

2007～2008年世界塑料工业进展

收集了2007年7月～2008年6月世界塑料工业的相关资料,介绍了2007～2008年国外塑料工业的发展情况,提供了世界塑料产量、消费量及全球各类树脂的需求量及产能情况.按通用热塑性树脂(聚乙烯、聚丙烯、聚苯乙烯、聚氯乙烯、ABS树脂)、工程塑料(尼龙、聚碳酸酯、聚甲醛、热塑性聚酯、聚苯醚)、特种工程塑料(聚苯·硫醚、液晶聚合物、聚醚醚酮)、通用热固性树脂(酚醛、聚氨酯、不饱和聚酯树脂、环氧树脂)不同品种的顺序,对树脂的产量、消费量、供需状况及合成工艺、产品应用开发、树脂品种的延伸及应用的进一步扩展等技术作了详细介绍.     

2005～2006年国外塑料工业进展

收集了2005年7月～2006年6月国外塑料工业的相关资料,介绍了2005—2006年国外塑料工业的发展情况。提供了世界塑料产量、消费量及全球各类树脂生产量以及各国塑料制品的进出口情况。作为对比,介绍了中国塑料的生产情况。按通用热塑性树脂（聚乙烯、聚丙烯、聚苯乙烯、聚氯乙烯、ABS树脂）、工程塑料（聚酰胺、聚碳酸酯、聚甲醛、热塑性聚酯、聚苯醚）、通用热固性树脂（酚醛、聚氨酯、不饱和树脂、环氧树脂）、特种工程塑料（聚苯硫醚、液晶聚合物、聚醚醚酮）的品种顺序,对树脂的产量、消费量、供需状况及合成工艺、产品开发、树脂品种的延伸及应用的扩展作了详细的介绍。