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研究领域

分子模拟计算方面: 1)表面活性剂体系:包括气液界面、体相、固体表面吸附等 2)驱油体系:润湿反转、泡沫驱油、破乳等 3)防污材料体系:贻贝蛋白等在固体表面的吸附等 4)小分子水凝胶体系:Fmoc保护二肽分子、多肽分子等 及粗粒、介观模拟,Monte Carlo方法等。 实验方面: 1)小分子水凝胶 2)介观自组装

近期论文

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Peili zhang, Zhen Xu, Qian Liu, Shiling Yuan* ""Mechanism of oil detachment from hybrid hydrophobic and hydrophilic surface in aqueous solution"" J. Chem. Phys. 2014, 140, 164702. Fengfeng Gao, Hui Yan, Qiwei Wang, Shiling Yuan* ""Mechanism of foam destructuion by antifoams: a molecular dynamics study"". Phys. Chem. Chem. Phys. 2014, 16, 17231-17237 Heng Zhang, Gang Liu, Wenchong Wang, Lifeng Chi, Shiling Yuan* ""Step-edge induced area selective growth: a kinetic Monte Carlo study"" RSC Adv. 2014, 4, 25005-25010 Lin Wang, Xia Xin*, Kai Guo, Mengzhou Yang, Shiling Yuan* ""Ordered carbon nanotubes-n-dodecyl tetraethylene monoether liquid crystal composites through phase separation induced by poly(ethylene glycol)"". Phys. Chem. Chem. Phys. 2014, 16, 14771-14780 Lin Wang, Xia Xin*, Mengzhou Yang, Shiling Yuan* ""Comparative study of n-dodecyl tetraethylene monoether lyotropic liquid crystals incorporated with grapheme and grapheme oxide"". Phys. Chem. Chem. Phys. 2014, 16, 20932-20940 Hua Wang, Heng Zhang, Shiling Yuan*,Chengbu Liu, Zhen Xu* ""Molecular dynamics study of the adsorption of anionic surfactant in a nonionic polymer brush"". J. Mol. Model. 2014,20, 2267 Haitao Kang, Congyun Zhang, Kai Lv, Shiling Yuan* ""Surfactant-assisted synthesis and catalytic activity for Sox abatement of high-surface-area CuMgAlCe mixed oxides"". Ceramics International, 2014, 40, 5357-5363 Baoruo Li, Shiling Yuan* ""Synthesis, Characterization, and evaluation of TiMgAlCu mixed oxides as novel SOx removal catalysts"". Ceramics International, 2014, 40, 11559-11566 Hua Wang, Heng Zhang, Shiling Yuan*. Molecular dynamics study of the structure of an oppositely charged polyelectrolyte and an ionic surfactant at the air/water interface. Colloid and Surface A, 2014, 454, 104-112 Fen Wang, Yanbo Song, Baoshuo Li, Rong Fan, Guiyun Jin, Shiling Yuan* “C and N stable isotope analysis of human and animal bones at the Beiqian site”. Science China (Earth Science), 2014, 57, 408-414 张恒 胡丽梅 蔺存国 王利 苑世领* 溶菌酶蛋白与聚合物防污膜相互作用的分子动力学模拟 高分子学报 2014,(1), 99-106 胡丽梅 蔺存国 王利 苑世领* 溶菌酶蛋白在聚合物防污膜表面的吸附 物理化学学报 2014,30(11)2149-2156 Fengfeng Gao, Zhen Xu, Guokui Liu, Shiling Yuan* Molecular dynamics simulation : The behavior of asphaltene in crude oil and at the oil/water interface, Energy and fuels, 2014, 28, 7368-7376 Heng Zhang, Hua Wang, Guiying Xu, Shiling Yuan* ""A molecular dynamics simulaiton of N-(fluorenyl-9-methoxycarbonyl) -depeptides supramolecular hydrogel"" Colloid and Surfaces A: 2013, 417, 217-223 Congyun Zhang, Hui Yan, Kai Lv, Shiling Yuan* ""Facile synthesis of hierarchically porous silica nanocapsules and nanoshperes via vesicel templating"" Colloid and Surfaces A, 2013, 424, 59-65 Congyun zhang, Zhen Xu, Hui Yan, Fengfeng Gao, Shiling Yuan* ""Deposition behavior onto different template structures and step-edge induced area-selective growth of rubrene: a molecular dynamics study"" Chem. Phys. Letters, 2013, Haitao Kang, Kai Lv, Shiling Yuan* ""Synthesis, Characterization, and SO2 removal capacity of MnMgAlFe mixed oxides derived from hydrotalcite-like compounds"" Apolied Clay Sci. 2013, 72: 184-190 Enze Li, Zhiping Du, Shiling Yuan* ""Properties of a water layer on hydrophhilic and hydrophobic self-assembled monolayer surfaces: a molecular dynamics study"" Sci. China Chem. 2012, 56: 773-781 延辉 徐振 陈玉 苑世领* “分子动力学模拟研究荧光分子芘在磺基甜菜碱胶束中的增溶” 中国科学 化学 2013, 43: 1-9 张恒 王华 蔺存国 王利 苑世领* “聚合物防污材料表面水化层的分子动力学模拟” 化学学报 2013, 71:649-656 Congyun Zhang, Chuan Du, Hui Yan, Shiling Yuan*, Lifeng Chi* ""Influence of self-assembled monolayers on Growth and crystallization of rubrene films: a molecular dynamics study"" RSC advance, 2013, 3, 15404-15410. Fengfeng Gao, Hui Yan, Shiling Yuan* Fluorescent probe solubilised in cetyltrimethylammonium bromide micelles by molecular dynamics simulation. Molecular simulation, 2013, 39, 1042-1051 苑世领 康海涛 张丛筠 吕凯 一种催化裂化再生烟气硫转移剂及其制备方法 中国专利(ZL 201110029268.4,授权日2013.6.19)"

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