利用分子动力学模拟方法研究页岩有机质孔缝内液态烷烃赋存状态。基于OPLS(Optimized Potentials for Liquid Simulation)力场模拟计算了烷烃在不同温度和压力条件下的密度,并与实验值比较,验证了该方法的有效性。在此基础上,以正庚...利用分子动力学模拟方法研究页岩有机质孔缝内液态烷烃赋存状态。基于OPLS(Optimized Potentials for Liquid Simulation)力场模拟计算了烷烃在不同温度和压力条件下的密度,并与实验值比较,验证了该方法的有效性。在此基础上,以正庚烷为例分析了油藏条件下有机质孔缝内烷烃赋存的基本特征,并探讨了缝宽、有机质成熟度、烷烃碳链长度以及同分异构体对其赋存的影响。结果表明:1烷烃在有机质孔缝内的密度分布并非均匀,而是呈现周期性的波动;2在靠近固体壁面处烷烃会形成"类固体"层,其密度约为游离态流体密度的1.9~2.7倍;3液态烷烃在有机质孔缝内主要发生多层吸附,每个吸附层的厚度约为0.48 nm,吸附层的数目受缝宽和流体组分影响。实例模拟分析表明,原油在有机质孔缝内以吸附态形式存在的比例为18.2%。展开更多
Air or inert atmosphere irradiation of liquid normal alkanes C5-C8 and benzene by electron beam was carried out. Oxidation (in the air) or isomerization (in the inert gases) of liquid normal alkanes under electron...Air or inert atmosphere irradiation of liquid normal alkanes C5-C8 and benzene by electron beam was carried out. Oxidation (in the air) or isomerization (in the inert gases) of liquid normal alkanes under electron beam was shown. Action of electron beam on benzene molecules in the air or in the inert atmosphere leads to biphenyl, terphenyl and polymers. Irradiation by the bunch of electrons of mixture hexane with 10% benzene reduced to firm fractions (fullerene's similar structures) in a deposit.展开更多
文摘Air or inert atmosphere irradiation of liquid normal alkanes C5-C8 and benzene by electron beam was carried out. Oxidation (in the air) or isomerization (in the inert gases) of liquid normal alkanes under electron beam was shown. Action of electron beam on benzene molecules in the air or in the inert atmosphere leads to biphenyl, terphenyl and polymers. Irradiation by the bunch of electrons of mixture hexane with 10% benzene reduced to firm fractions (fullerene's similar structures) in a deposit.