Computer simulations of anionic and zwitterionic surfactants were carried out to study decane molecules arrangement on a graphite surface. Systems were constructed with different amount of decane molecules deposited on top of the graphite surface by forming two and four structured layers. Then, Sodium dodecyl sulfate (SDS) and two betaine surfactants, cocoamidopropyl (CAPB) and the N-Dodecyl-N,N-dimethyl- 3-ammomio-1-propanesulfonate (SB3-12), with their mixtures were used to investigate removal of the alkane molecules where different features were observed. Arrangement was analyzed in terms of density profiles and isotherm curves at different surfactant concentrations. It was observed that all surfactants promoted the formation of an additional decane layer suggesting they could produce detachment or removal from the graphite surface. The anionic surfactant present better removal from the surface than the betaine ones whereas in the case of the mixtures the SDS/CAPB one was slightly better than the SDS/SB3-12 one.

进行了阴离子和两性离子表面活性剂的计算机模拟，以研究癸烷分子在石墨表面的排列。通过形成两个和四个结构化层，在石墨表面上沉积了不同数量的癸烷分子，构建了系统。然后，使用十二烷基硫酸钠（SDS）和两种甜菜碱表面活性剂椰油酰胺丙基（CAPB）和N-十二烷基-N，N-二甲基-3-氨基-1-丙烷磺酸盐（SB3-12）对其混合物进行研究。观察到不同特征的烷烃分子 根据在不同表面活性剂浓度下的密度分布和等温线曲线分析了排列。观察到所有表面活性剂都促进了另外的癸烷层的形成，表明它们可以从石墨表面产生脱离或去除。