Molecular dynamics study on the structure I helium hydrate

A 368- water molecule structure I gas hydrate, encased by the number of helium (He) molecules ranging from two to twenty-two, are calculated by molecular dynamical simulations. The potential TIP4P (transferable intermolecular potentical with four sites) is used for water interactions and Lennard-Jones for He-He and He-water interactions. He molecules do not affect the water lattice and can stabilize the hydrate when their concentration is small. A trough signature of He encased is found at 80～90 meV in the phonon density of states. He molecules prefer to be more off-center in 51262 cages. Heavier isotope He are energetically favorable to be filled in cages.     

用热重法确定动力学参数

用热重(TG)法和微分热重(DTG)法,对草酸钙(CaC2O4*H2O)和乙酸钙(CH3COONa*3H2O)的热分解反应进行动力学分析,假设分解反应符合简单动力学方程式,速率常数符合Arrhenius型,并忽略温度对活化能的影响,由此给出热分解过程的动力学参数如反应级数(n)、活化能(E)等.     

表面活性剂对甲烷水合物储气特性影响的实验研究

利用高压水合物形成实验装置测量了表面活性剂对水合物形成过程的影响。实验结果表明：微量的表面活性剂可使水合物在静止的系统中快速形成，提高了气体水合物的储气能力，并改变了水合物的形成机理。根据活性剂含量与水合物储气量的关系，确认十二烷基硫酸钠(SDS)和烷基多糖苷(APG)在水合物形成体系中的临界胶束质量分数分别为0．03％和0．05％。阴离子表面活性剂十二烷基硫酸钠对水合物储气的促进作用比非离子表面活性剂烷基多糖苷强。     

添加剂对气体水合物蓄冷过程影响的实验研究

对R141b水合物在添加不同比例的次氯酸钙或苯磺酸钠的结晶生成过程进行了实验研究．实验表明，适当比例的添加剂使水合物生成过冷度明显减小，3／10000的苯磺酸钠可以使过冷度减小0．78℃；水合物生成速度显著提高，8／10000的次氯酸钙可以使水合物平均生成速度增加0．2g／s．蓄冷装置实现了稳定高效的蓄冷密度和蓄冷效率，加入3／10000的苯磺酸钠时，蓄冷量为4．74MJ，蓄冷密度为206．07MJ／m^3，满足了实际蓄冷空调工程应用的要求．     

蓖麻油系防锈剂的研制

本文从蓖麻油出发制成几种化合物，研究了它们的防锈性能，研制了一种新型防锈剂。     

气水合物形成时的诱导时间定义辨析

以气水合物形成过程中的诱导现象为基础,借助于微观和宏观概念对各种理论模型提出的诱导时间定义进行了归纳和总结,分析了其中的区别和联系.进一步明确了诱导时间及其相关时间间隔段的含义及特殊状况下诱导时间的确定方法.为使诱导时间的测量更具操作性和定义具有普遍适用性,切实将其作为判断促进剂或抑制剂影响水合物形成动力学的依据,建议将诱导时间定义为从反应开始到系统某状态参数发生急剧变化所经历的时间,即系统从水合反应开始到产生大量可视晶体所需要的时间.     

在井下温度合成瓦斯水合物的实验

通过实验研究了利用模拟瓦斯气体在井下温度和中高压的条件下合成瓦斯水合物。采用以实验为主，理论分析和计算机模拟相结合的研究方法，目的在于找出压力、温度及表面活性剂对水合物生成过程的影响。在井下温度和中高压的条件下，采用合适的表面活性剂及一定配比成功合成了瓦斯水合物。得出的结论是：表面活性剂在溶液中形成胶束后很大程度上可增加瓦斯气体的溶解度；与压力相比。温度对水合物的影响更重要：在气一液界面先合成的水合物有利于剩余水合物的合成。     

TTAC-HPMo/SiO_2催化剂的表征及其氧化脱硫性能分析

以十四烷基三甲基氯化铵(TTAC)为模板剂,正硅酸乙酯(TEOS)为硅源,采用溶胶-凝胶法制备TTAC-HPMo/SiO_2催化剂,利用FTIR、XRD、SEM和N_2吸附-脱附等技术对其进行表征,并分析催化剂制备条件和反应条件对模型油氧化脱硫性能的影响。结果表明,在m(HPMo)/m(SiO_2)=15%、焙烧温度为400℃条件下所制TTAC-HPMo/SiO_2催化剂,其孔隙结构发达、氧化脱硫性能最佳;对于10mL以二苯并噻吩(DBT)为目标含硫化合物的模型油(硫含量为400μg/g),当m(TTAC-HPMo/SiO_2)/m(模型油)=0.43%、V(H_2O_2)/V(模型油)=0.2%、反应温度为60℃、反应时间为14min时,所制TTAC-HPMo/SiO_2催化剂对模型油中DBT的脱除率达到100%。     

三种麻醉剂对动物组织器官生理特性影响的探讨

主要探讨了氨基甲酸乙酯、水合氯醛、戊巴比妥钠等3种麻醉剂对动物组织器官生理特性的影响,以寻找动物生理实验过程中更适合某种组织器官的麻醉剂。提出:水合氯醛更适合于对动物心肌收缩力、胃运动等实验的研究;戊巴比妥钠更适合于对动物心率、骨骼肌、坐骨神经、十二指肠、子宫等实验的研究,可供研究动物生理的科研工作者参考。     

Potential release of hydrogen fluoride from domestic coal in endemic fluorosis area in Guizhou,China

Almost half of the total rural area of Guizhou Province and many regions within the 11 adjacent provinces in southwestern China have a long history(at least 70 years) of endemic fluorosis,including dental fluorosis and osteofluorosis along with its associated deformities and disabilities.Over decades of research,this specific type of endemic fluorosis has been defined as coal-burning fluorosis,which is distinct from drinking-water fluorosis.It is generally acknowledged that indoor burning and combustion of high-fluorine coal leads to food contamination,and fluorine then enters the human body.However,the exact chemical form of fluorine during its release and transfer to the body is still unknown.In the present study,21 domestic coal samples from outcrop and semi-outcrop coal collected in five villages with fluorosis were analyzed by time-of-flight secondary ion mass spectrometry(TOF-SIMS).The total mass fraction of sulfur in the samples ranged from 0.24%-5.58% and total fluorine content ranged 90.2-149.2 mg/kg.H3O+,H2SO4+ and HSO4-were detected in the samples by TOF-SIMS,which indicated that sulfuric acid hydrate(H2SO4.H2O) was present in the samples.F-was detected in all of these,which suggested the samples contain ionic fluorine compounds.Under certain circumstances,such as heating or burning,the prevalence and coexistence of the acid(H2SO4.H2O) and base(F-) would lead to a neutralization reaction producing volatile hydrogen fluoride(HF,bp = 19.5℃).This would be the chemical form of fluorine released from the coal.Further studies using HF and SO2 test tubes on headspace gas over coal samples heated to 200℃ in the laboratory and on headspace gas over stoves or chimney tops at rural residences confirmed the release of HF.