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On the basis of energy conservation law and surface pressure isotherm, the conformation energy changes of dipalmitoylphosphatidylcholine (DPPC) and dipalmitoylphosphatidylglycerol (DPPG) in pure phospholipid monolayer at the air/water interface during compression are derived. The optimized conformations of phospholipids at absolute freedom state are simulated by Gaussian 98 software. Based on following assumptions: (1)the conformation energy change is mainly caused by the rotation of one special bond; (2)the atoms of glycerol near the water surface are active; (3)the rotation is motivated by hydrogen-bond action; (4)the rotation of bond is inertial, one simplified track of conformational change is suggested and the conformations of DPPC and DPPG at different states are determined by the plots of conformation energy change vs. dihedral angle. The thickness of the simulated phospholipid monolayer is consistent with published experimental result. According to molecular areas at different states, the molecular orientations in the compressing process are also developed. 相似文献
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我国工业过程碳排放占比高达70%,实施节能增效、替代燃料、CO2捕集等是实现工业过程碳减排的重要路径。高效膜分离技术已成为过程工业节能减排和环境治理的共性支撑技术。本文围绕碳减排目标,结合本文作者课题组在分子筛膜领域的相关工作,重点论述分子筛膜分离技术在有机溶剂脱水、清洁能源生产、CO2分离和反应过程强化等领域的研究进展。基于本文作者课题组十余年的有机溶剂脱水产业化工作,提出降低膜装备投资的中空纤维分子筛膜技术路线、强化分子筛膜应用技术研究是实现大规模工业应用的关键。分子筛膜在工业气体分离领域仍属空白,加强高硅/全硅分子筛膜的制备及其在复杂组成气体的分离应用研究,对推动分子筛膜气体分离的实际应用至关重要。 相似文献
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为优化TiO2/Al2O3复合载体结构用于高通量全硅Deca-Dodecasil 3R(DD3R)分子筛膜的制备,构建基于黏性流和克努森扩散的气体传质模型,并结合实验获得模型所需参数,探讨了操作条件与结构参数对复合载体内气体渗透的影响。结果表明:单组分气体流率的模型计算值与实验值吻合较好,验证了模型的可靠性;增加压力或降低温度均会减少克努森扩散对气体渗透的影响;CO2通过复合载体的多层非对称结构时,传质阻力主要集中在TiO2层与海绵层。在DD3R分子筛膜已有工作的基础上,通过建立载体与分子筛膜CO2渗透性之比的等值线图,揭示了TiO2/Al2O3复合载体渗透性与TiO2层、海绵层结构参数(孔径和层厚)间的协同关系。 相似文献
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