摘要
本文计算了单尾及双尾链磷脂分子单层膜的结构。双尾链膜的单分子面积大于单尾链分子面积与实验结果相符。
The intra\| and inter\|molecular potential calculations of octadecyl and didodecyl phosphates monolayers have been performed by using the all\|atom representation. Two models were obtained for didodecyl phosphate. The areas per molecule of winding and straight structures are 63 702 and 46 482, respectively. They are larger than that of octadecyl phosphate 32.202. These results are in good agreement with the experiments.
出处
《计算机与应用化学》
CAS
CSCD
2000年第1期72-72,共1页
Computers and Applied Chemistry
关键词
单层膜
分子力学
分子聚集
磷脂
膜结构
Monolayer
Molecular Mechamics
Molecules aggregation
Phosphate Ester
