摘要
为了判断酮麝香、二甲苯麝香固相存在状态,改进Lennard-Jonnes位能函数后得到了适用于极性和非极性分子的位能函数式,计算得到酮麝香、二甲苯麝香体系相互作用能量参数λ,结合NRTL方程计算确认酮麝香、二甲苯麝香为简单低共熔体系,采用差分扫描量热热分析法进行了实验验证。
<Abstrcat>In order to identify the existing solid state of musk ketone and musk xylene,after modifying the Lennard-Jonnes potential energy function,the potential energy function applicable for both polar and non polar molecules was derived,and the interactive energy parameter λ of musk ketone and musk xylene was obtained by calculation.In combination with the calculation based upon NTRL model,the musk ketone and musk xylene system was confirmed to be a simple eutectic mixture.Such result was verified by experiment data base on differential scanning calorimetry.
出处
《日用化学工业》
CAS
CSCD
北大核心
2005年第3期142-144,148,共4页
China Surfactant Detergent & Cosmetics
关键词
香料
酮麝香
二甲苯麝香
固固相平衡
aromatics
musk ketone
musk xylene
solid-solid phases equilibria
