物理化学学报 >> 2015, Vol. 31 >> Issue (3): 412-418.doi: 10.3866/PKU.WHXB201501122

热力学,动力学和结构化学 上一篇    下一篇

尿嘧啶和5-溴尿嘧啶的低温热容

张晓晔1,2, 薛斌1, 程泽1,2, 谭志诚2, 史全2   

  1. 1. 沈阳工业大学石油化工学院, 辽宁 辽阳 111003;
    2. 中国科学院大连化学物理研究所热化学实验室, 辽宁省能源材料热化学重点实验室, 洁净能源国家实验室, 辽宁 大连 116023
  • 收稿日期:2014-11-25 修回日期:2015-01-12 发布日期:2015-03-06
  • 通讯作者: 史全, 薛斌 E-mail:shiquan@dicp.ac.cn;xue-b@163.com

Low Temperature Heat Capacities of Uracil and 5-Bromouracil

ZHANG Xiao-Ye1,2, XUE Bin1, CHENG Ze1,2, TAN Zhi-Cheng2, SHI Quan2   

  1. 1. School of Petrochemical Engineering, Shenyang University of Technology, Liaoyang 111003, Liaoning Province, P. R. China;
    2. Dalian National Laboratory for Clean Energy, Liaoning Province Key Laboratory of Thermochemistry for Energy and Materials, Thermochemistry Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, Liaoning Province, P. R. China
  • Received:2014-11-25 Revised:2015-01-12 Published:2015-03-06
  • Contact: SHI Quan, XUE Bin E-mail:shiquan@dicp.ac.cn;xue-b@163.com

摘要:

采用综合物性测量系统(PPMS)的热容测量模块在1.9-300 K温度区间内对两种药物中间体(尿嘧啶和5-溴尿嘧啶)的低温热容进行了测量与研究. 结果表明, 在测量温区内两种化合物的低温热容随温度的上升而逐步增加, 无任何热异常现象产生; 在相同温度下, 5-溴尿嘧啶的热容数值始终高于尿嘧啶. 利用低温热容理论模型对热容数据进行了拟合, 并计算得到了0-300 K温区的摩尔熵变、焓变等热力学函数. 此外, 通过热容拟合数据计算得到的尿嘧啶和5-溴尿嘧啶在298.15 K的标准摩尔规定熵分别为(132.48±1.32)和(165.39±1.65) J·K-1·mol-1.

关键词: 尿嘧啶, 5-溴尿嘧啶, 热容, 综合物性测量系统, 热力学函数

Abstract:

The heat capacities of uracil and 5-bromouracil were measured using a quantum design physical property measurement system (PPMS) in the temperature range of 1.9-300 K. The experimental results indicate that the heat capacities of the two compounds increase with increasing temperature, and no thermal anomalies are observed across the whole temperature range studied. The heat capacity values of 5-bromouracil are larger than those of uracil as it has a higher molecular weight but a similar molecular structure. The heat capacities were fitted to theoretical models and the thermodynamic functions were calculated based on the curve fitting. The standardmolecular entropies at 298.15 K were determined to be (132.48±1.32) and (165.39±1.65) J·K-1·mol-1 for uracil and 5-bromouracil, respectively.

Key words: Uracil, 5-Bromouracil, Heat capacity, Physical property measurement system, Thermodynamic function

MSC2000: 

  • O641