纳米颗粒与纳米块材摩尔定压热容的理论计算

探讨了纳米颗粒和纳米块材摩尔定压热容 C_P(T)的理论计算方法,提出了利用纳米颗粒的熔点数据来计算纳米颗粒的德拜(Debye)温度、体膨胀系数和C_P(T)的理论公式,以铜纳米颗粒为例,C_P(T)的理论计算值与实验值符合较好;提出了纳米块材的Debye温度随块材密度变化的关系式,随着块材密度减小,Debye温度降低;铜纳米块材C_P(T)的理论计算值与实验值也符合较好;纳米块材的体关键词：纳米颗粒纳米块材C_P(T)')" href="#">摩尔定压热容C_P(T)德拜温度

Theoretical calculation of molar heat capacity at constant pressureof nanoparticle and nanocrystalline

In this paper the theoretical calculation methods for C_P(T) (molar heat capacity at constant pressure) values of nanoparticle and nanocrystalline are investigated. Theoretical formulas for calculating C_P(T), Debye temperature and volume expansion coefficient of nanoparticle using melting point of nanoparticle are set up and the calculated values of C_P(T) for copper nanoparticle are fairly consistent with the experimental ones. A relationship between Debye temperature and density of nanocrystalline is proposed, and Debye temperature can decrease with the reduction of nanocrystalline density. The calculated values of C_P(T) of copper nanocrystalline are also quite consistent with the experimental ones. The bulk modulus of elasticity of nanocrystalline will drop off with the decrease of grain size of nanocrystalline, which should be taken into account when the C_P(T) of nanocrystalline is calculated. The calculation methods proposed in this paper are feasible.