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国家自然科学基金(20973089)

作品数:10 被引量:5H指数:2
相关作者:邸友莹邸明哲卢冬飞钟文文高振飞更多>>
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发文基金:国家自然科学基金更多>>
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10 条 记 录,以下是 1-10
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吡啶-2,6-二甲酸氢钾的合成、结构表征及热化学性质被引量:1
2012年
合成了吡啶-2,6-二甲酸氢钾(KHDPC).利用X射线单晶衍射仪确定了化合物的晶体结构.用精密自动绝热热量计测量了其在78~360 K温度区间的低温热容.利用最小二乘法对配合物的实验热容进行拟合,得到热容随温度变化的多项式方程.利用此方程计算出温度区间内的舒平热容值及相对于298.15 K时的热力学函数值.利用Hess定律设计合理的热化学循环,在等温环境下利用溶解-反应热量计分别测定所设计热化学反应的反应物和产物在所选溶剂中的溶解焓并计算出反应的反应焓.最后,计算出该化合物的标准摩尔生成焓为-(1052.69"1.52)kJ/mol.
钟文文邸明哲邸友莹
关键词:低温热容标准摩尔生成焓
四氯合镉酸正十一烷铵的合成、晶体结构及低温热容
2012年
合成了四氯合镉酸正十一烷铵配合物(C11H23NH3)2CdCl4(s)[简写:C11Cd(s)].用X射线单晶衍射技术、化学分析和元素分析确定其晶体结构和化学组成.利用其晶体学数据计算出晶格能为:UPOT=908.18 kJ·mol-1.利用精密自动绝热热量计测定了它在78~395 K温区的低温热容,结果表明,该配合物在此温区出现两次连续的固-固相转变,计算出两次相变的峰温、摩尔焓及摩尔熵分别为:Ttrs,1=(321.88±0.07)K,ΔtrsHm,1=(37.59±0.17)kJ·mol-1,ΔtrsSm,1=(117.24±0.12)J·K-1·mol-1,Ttrs,2=(323.81±0.30)K,ΔtrsHm,2=(12.42±0.02)kJ·mol-1和ΔtrsSm,2=(38.36±0.09)J·K-1·mol-1.用最小二乘法将实验摩尔热容对温度进行拟合,得到热容随温度变化的多项式方程.用此方程进行数值积分,得到此温区每隔5 K的舒平热容值和相对于298.15 K时的热力学函数值.
卢冬飞邸友莹窦建民
关键词:晶体结构低温热容
Crystal Structure and Thermodynamic Study of Ephedrine Hydrochloride C_(10)H_(16)NOCl(s)被引量:2
2010年
The crystal structure of ephedrine hydrochloride was determined by means of X-ray crystallography. The crystal system of the compound is monoclinic, and the space group is P21. Unit cell parameters are a=0.7308(6) nm, b=0.6124(5) nm, and c= 1.2618(11) nm; β=90°, β= 102°, and γ =90°; Z=2. Low-temperature heat capacities of the title compound were measured with an improved precision automated adiabatic calorimeter over a temperature range from 77 K to 396 K. A polynomial equation of the heat capacities as a function of temperature in the temperature region was fitted by the least-squares. Based on the fitted polynomial equation, the smoothed heat capacities and thermodynamic functions of the compound relative to the standard reference temperature 298.15 K were calculated and tabulated at the intervals of 5 K.
YANG Wei-wei DI You-ying LI Jing KONG Yu-xia
Low-temperature heat capacities and standard molar enthalpy of formation of pyridine-2,6-dicarboxylic acid被引量:2
2010年
This paper reports that the low-temperature heat capacities of pyridine-2,6-dicarboxylic acid were measured by a precision automatic calorimeter over a temperature range from 78 K to 380 K. A polynomial equation of heat capacities as a function of temperature was fitted by the least-squares method. Based on the fitted polynomial, the smoothed heat capacities and thermodynamic functions of the compound relative to the standard reference temperature 298.15 K were calculated and tabulated at intervals of 5 K. The constant-volume energy of combustion of the compound was determined by means of a precision rotating-bomb combustion calorimeter. The standard molar enthalpy of combustion of the compound was derived from the constant-volume energy of combustion. The standard molar enthalpy of formation of the compound was calculated from a combination of the datum of the standard molar enthalpy of combustion of the compound with other auxiliary thermodynamic quantities through a Hess thermochemical cycle.
杨伟伟邸友莹孔玉霞谭志诚
四氯合锌酸正九烷铵的晶体结构及热化学性质(英文)
2011年
合成了四氯合锌酸正九烷铵复合物(C9H19NH3)2ZnCl4(s)(C9Zn(s)),并使用X射线单晶衍射、化学分析以及元素分析确定了其晶体结构和化学组成.利用其晶体学数据推导了C9Zn(s)的晶格能UPOT=952.94kJ·mol-1.在298.15K下,利用恒温环境溶解-反应热量计测定了C9Zn(s)在不同质量摩尔浓度下的摩尔溶解焓.在Pitzer电解质溶液理论基础上确定了C9Zn(s)的无限稀释摩尔溶解焓ΔsΗm∞=20.09kJ·mol-1,以及Pitzer焓参数组合(4β(C09)LH19NH3,Cl+2β(Z0n)L,Cl+θCL9H19NH3,Zn)和(2β(C1)9LH19NH3,Cl+β(Z1)nL,Cl)的值.
卢冬飞邸友莹何东华
关键词:晶格能PITZER参数PITZER理论
Crystal structure and thermochemical properties of bis(1-octylammonium) tetrachlorochromate phase change materials
2012年
A new crystalline complex (C8H17NH3)2CdCI4(s) (abbreviated as CsCd(s)) is synthesized by liquid phase reaction. The crystal structure and composition of the complex are determined by single crystal X-ray diffraction, chemical analysis, and elementary analysis. It is triclinic, the space group is P-1 and Z = 2. The lattice potential energy of the title complex is calculated to be UpoT (CsCd(s))=978.83 kJ.mol^-1 from crystallographic data. Low-temperature heat capacities of the complex are measured by using a precision automatic adiabatic calorimeter over a temperature range from 78 K to 384 K. The temperature, molar enthalpy, and entropy of the phase transition for the complex are determined to be 307.3±0.15 K, 10.15±0.23 kJ.mol^-1, and 33.054-0.78 J.K^-1.mol^-1 respectively for the endothermic peak. Two polynomial equations of the heat capacities each as a function of temperature are fitted by using the leastsquare method. Smoothed heat capacity and thermodynamic functions of the complex are calculated based on the fitted polynomials.
卢冬飞邸友莹何东华
Lattice potential energy and standard molar enthalpy in the formation of 1-dodecylamine hydrobromide (1-C_(12)H_(25)NH_3 ·Br)(s)
2011年
This paper reports that 1-dodecylamine hydrobromide (1 C12H25NH3.Br)(s) has been synthesized using the liquid phase reaction method. The lattice potential energy of the compound 1-C12H25NH3.Br and the ionic vol- ume and radius of the 1-C12H25NH3+ cation are obtained from the crystallographic data and other auxiliary ther- modynamic data. The constant-volume energy of combustion of 1 C12H25NH3.Br(s) is measured to be AcUo(1 C12H25NH3.Br, s) = (7369.03-4-3.28) kJ.mo1-1 by means of an RBC-II precision rotating-bomb combustion calorime- ter at T=(298.15~0.001) K. The standard molar enthalpy of combustion of the compound is derived to be △cHo(1- C12H25NH3.Br, s)=- (7384.52±3.28) kJ.mo1-1 from the constant-volume energy of combustion. The standard molar enthalpy of formation of the compound is calculated to be △fHo(1-C12H25NH3.Br, s)=-(1317.86~3.67) kJ.mo1-1 from the standard molar enthalpy of combustion of the title compound and other auxiliary thermodynamic quantities through a thermochemical cycle.
刘玉普邸友莹淡文彦何东华孔玉霞杨伟伟
正八烷铵磷酸二氢盐的合成,表征和热化学研究
<正>近年来,由于烷胺类的化合物或配合物在一定温度区间内存在固-固相变,是一种潜在的固-固相变材料而受到广泛的研究。本文以正八烷胺和磷酸为反应物,得到正八烷铵磷酸二氢盐。并利用通过元素分析、红外光谱、X射线单晶衍射表征了...
淡文彦邸友莹张莹莹
关键词:固-固相变材料热力学函数
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吡啶-2,6-二甲酸氢锂的合成、结构及热化学性质
2013年
以甲醇和水的混合溶液为溶剂,合成了吡啶-2,6-二甲酸氢锂Li(HDPC)(H2O)(s),利用X射线单晶衍射法表征了其晶体结构.用精密自动绝热热量计测量了其在78~378 K温区的低温热容.通过最小二乘法拟合得到摩尔热容随折合温度变化的多项式方程,利用此方程计算出了化合物的舒平热容和各种热力学函数.设计合理的热化学循环,利用等温环境溶解-反应热量计分别测定所设计热化学反应的反应物和产物在选定溶剂中的溶解焓,通过计算得到反应焓为-(46.83±0.16)kJ/mol.利用Hess定律计算出吡啶-2,6-二甲酸氢锂的标准摩尔生成焓为-(747.90±1.46)kJ/mol.利用紫外-可见光谱仪对反应物和产物溶液的测量证实所设计热化学循环的可靠性.
高振飞邸明哲邸友莹
关键词:低温热容标准摩尔生成焓
Crystal Structure and Thermochemical Properties of 2-Pyrazine Carboxylate Lithium Monohydrate [Li(pyza)(H2O)]n(S)(pyza=2-Pyrazine Carboxylate)
2015年
A 2-pyrazine carboxylate lithium monohydrate [Li(pyza)(H2O)]n was synthesized in a mixed solution of redistilled water and anhydrous ethanol. X-Ray crystallography was applied to characterizing its crystal structure. Low temperature molar heat capacities were measured in a temperature range of from 78 K to 400 K with a precision automatic adiabatic calorimeter. Two polynomial equations of experimental molar heat capacity as a function of temperature were obtained by the least-squares method. The smoothed molar heat capacities and thermodynamic functions of the compound were calculated based on the fitted polynomial equations. In accordance with Hess's law, a reasonable thermochemical cycle was designed based on the preparation reaction of the target compound. The standard molar enthalpies of dissolution for the reactants and products of the designed thermochemical reaction were measured by an isoperibol solution-reaction calorimeter, and the enthalpy change of the reaction was obtained, i.e., △rHm^ Ф→=-(30.084±0.329) kJ/mol. The standard molar enthalpy of the formation of the target compound was determined as △fHm^ Ф→,{[Li(pyza)(H2O)n(S)} =-(260.844±1.178) kJ/mol based on the enthalpy change of the reaction and standard molar enthalpies of the formation of other reactants and products. In addition, UV-Vis spectroscopy and the data of the refractive indexes were used to confirm whether the designed Hess thermochemieal cycle was reasonable and reliable.
XU Dan DI Youying KONG Yuxia DOU Jianmin
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