【科研成果】
2017年 1. Guochun Lv, Fengfeng Gao, Guokui Liu, Shiling Yuan* "The properties of asphaltene at the oil-water interface:a molecular dynamics simulation" Colloid and surfaces A, 2017, 515: 34-40 2. Long Bai, Enze Li*, Zhiping Du, Shiling Yuan*. "Structural changes of PMMA substrates with different electrolyte solutions:a molecular dynamics study" Colloids and surfaces A, 2017, 522: 51-57 3. Guokui Liu, Tingwei Chen, Xiaobiao Liu, Fan Jin, Shiling Yuan*, Yuchen Ma* "Electronic structures of rutile (011)(2 1) surfaces: a many-body perturbation theory study" Jouranl of chemical physics 2017, 146, 124702 4. Han Zhang, Lingyu Guo, Jianmei Jiao, Xia Xin*, Di Sun*, Shiling Yuan* "Ionic self-assembly of polyoxometalate-dopamine hybrid nanoflowers with excellent catalytic acticity for dyes" ACS Sustainable Chemical and Engineering, 2017, 5: 1358-1367 5. Jichao Sun, Heng Zhang, Mei Hu, Xiangjia Meng, Shiling Yuan* "Molecular dynamics study on oil migration inside silica nanopore" Chemical PHysics Letters. 2017, 678: 186-191 6.Cunxue He, Heng Zhang, Cunguo Lin, Li Wang, Shiling Yuan* "A molecular dynamics study on the adsroption of a mussel protein on two different films:polymer film and a sam" Chemical PHysics Letters. 2017, 676: 144-149 7. Fengfeng Gao, Guokui Liu, Shiling Yuan* "The effect of betaine on the foam stability: molecular simulaiton" Applied surface science 2017, 407: 156-161 8. Peng Cui, Heng Zhang* Ying Ma, Qingquan Hao, Gang Liu, Jichao Sun, Shiling Yuan* "Molecular dynamics study on mechanism of preformed particle gel transporting through nanopores:surface chemistry and heterogeneity" Chemical Physics Letters. 2017, 685: 294-299 9. Jichao Sun, Jing Shi, Peili Zhang, Shiling Yuan* "The mechanism of restructruing of surfactant monolayer on mica surface in aqueous solution:moelcular dynamics simulation" 2017 , 1391384 10. Jinglin Shen, Peng Ding, Lei Gao, Yuanyuan Gao, Qingyu Zhang, Shiling Yuan*, Xiaxin* "Formation of organogels with aggregation-induced emission characteristics triggered by thermal an dultrasound" Colloid and Polymer Science 2017, 295: 1765-1772 11. Jinglin Shen, Shiling Yuan, Xia Xin "Supramolecular materials based on ionic self-assembly: structure, property and application" Chapter from the book "Molecular self-assembly in nanoscience and nanotechnology" 2017. INTECH. 12. Yong Xiong, Tiantian Cao, Qian Chen, Zhen Li, Yeu Yang, Shengming Xu*, Shiling Yuan, Johan Sjoblom, Zhenghe Xu* "Adsorption of a polyaromatic compound on silica surface form organic solvetns studied by molecular dynamics simulation and AFM imagining" Journal of Phyesical Chemistry C. 2017, 121: 5020-5028 13. Hongshu Zhang, Shiling Yuan, Jichao Sun, Jianqiang Liu, Haiping Li, Na Du,* Wanguo Hou. "Molecular dynamics simulaiton of sodium dodecylsulfate(SDS) bilayers. Journal of colloid and interface science. 2017, 506: 227-235 14. Jinglin Shen, Zhi Wang, Di Sun*, Guokui Liu, Shiling Yuan*, Mohamedally Kurmoo, Xia Xin* "Self-assembly of water-soluble silver nanoclusters:superstructure formation and mnorphological evolution" Nanoscale, 2017, 9: 19191-19200. 15. 刘沙沙 张恒 王华 苑世领 侯士峰 改性氧化石墨烯去除重金属离子的分子动力学模拟 高等化学学报 2017， 38： 63-71 16 张恒 马莹 刘刚 宋其圣 苑世领* 分子间弱相互作用的计算-构建氢键、卤键势能面 大学化学 2017， 32： 44-48
2016年 1. Guokui Liu, Heng Zhang, Gang Liu, Shiling Yuan*, Chengbu Liu "Tetraalkylammonium interactions with dodecyl sulfate micelles: a molecular dynamics study" Phys. Chem. Chem. Phys. 2016, 18, 878-885 2. Han Zhang, Jichao Sun, Xia Xin*, Wenlong Xu, Jinglin Shen, Zhaohua Song, Shiling Yuan* "Modulating self-assembly behavior of a slat-free peptide amphiphile and zwitterionic surfactant mixed system" J. Colloid and interface Sci. 2016, 467, 43-50. 3. Heng Zhang, Ying Ma, Qingquan Hao, Hua Wang, Gang Liu, Shiling Yuan* "Molecular dynamics study on mechanism of performed particle gel transporting through nanopores: the effect of hydration layer" RSC Adv. 2016, 6, 7172-7180. 4. Jinglin Sheng, Jinyu Pang, Guiying Xu, Xia Xin*, Yingjie Yang, Xiaoyu Luan, Shiling Yuan* "Smart stimuli-responsive fluorescent vesicular sensor based on inclusion complexation of cyclodextrins wiht tyloxapol" RSC Adv. 2016, 6, 11683-11690 5. Han Zhang, Menghong Yu, Aixin Song, Yawen Song, Xia Xin* Jinglin Shen, Shiling Yuan* "Modulating hieratchical self-assembly behavior of a peptide amphiphile/nonionic surfactant mixed system" RSC Adv. 2016, 9186-9193 6. Hui Yan, Shiling Yuan* "Molecular dynamics simulation of the oildetachment process within silica nanopores" J. Phys. Chem. C 2016, 120, 2667-2674 7. Gang Liu, Heng Zhang, Guokui Liu, Shiling Yuan* A kinetic Monte Carlo simulation of organic particles hetero-patterning on template-induced surface, Colloids and surface A, 2016, 494: 186-193 8. Guokui Liu, Ruoxue Li, Yaoyao Wei, Fengfeng Gao, Honglei Wang, Shiling Yuan*, Chengbu Liu "Molecular dynamics simulaitons on tetraalkylammonium interactions with dodecyl sulfate micelles at the air/water interface" Journal of Molecular Liquid, 2016, 222, 1085-1090 9. Jinglin Shen, Xia Xin*, Teng Liu, Lu Tong, Guiying Xu, Shiling Yuan*, "Manipulation the properties of supramolecular hydrogels of cyclodextrin/Tyloxapol/carbon-based nanomaterials" J. Colloid and interface Sci. 2016, 468, 78-85 10. Han Zhang, Xia Xin*, Jichao Sun, Liupeng Zhao, Jinglin Shen, Zhaohua Song, Shiling Yuan* "Self-assembled chiral helical nanofibers by amphiphilic dipeptide derived from D- or L-threonine and application as a template for the synthesis of Au and Ag nanoparticles" J. Colloid and interface Sci. 2016, 484, 97-106 11. Ying Ma, Heng Zhang*, Qingquan Hao, Gang Liu, Hua Wang, Shiling Yuan* "Molecular dynamics study on mechanism of preformed particle gel transporting through nanopores: deformation and dehydartion" J. Phy. Chem. C. 2016, 120, 19389-19395 12. Jinglin Shen, Xia Xin*, Teng Liu, Shubin Wang, YIngjie Yang, Xiaoyu Luan, Guiying Xu, Shiling Yuan*. "Ionic self-assembly of a Giant vesicle as a smart microcarrier and microreactor" Langmuir 2016, 32, 9548-9556 13. Guokui Liu, Yaoyao Wei, Fengfeng Gao, Shiling Yuan*, Chengbu Liu, "Origins of entropy change for the amphiphilic molecule in micellization : a molecular dynamics study" Phys. chem. chem. phys. 2016, 18, 11357-11361 14. Gang Liu, Heng Zhang, Guokui Liu, Shiling Yuan*, Qingzeng Zhu, "a kinetic Monte Carlo simulaiton of centrer shift on template -induced surface" Colloid Surface A, 2016, 509, 401-407 15. Yaoyao Wei, Honglei Wang, Goukui Liu, Zhongni Wang, Shiling Yuan* "a molecular dynamics study on two promising green surfactant micelles of choline dodecyl sulfate and laurate" RSC Adv. 2016, 6, 84090-84097 16. Yaoyao Wei, Guokui Liu, Zhongni Wang, Shiling Yuan* "Molecular dynamics study on the aggregation behaviour of different positional isomers of sodium dodecyl benzenesulphonate" RSC Adv. 2016 , 6 49708-49716 17. 马莹 张恒 苑世领 分子模拟研究醇醚类表面活性剂耐盐机理 十大靠谱网赌学报 2016， 517（7）126-130. 2015年 1. Jichao Sun, Heng Zhang, Kai Guo, Shiling Yuan* "Self-assembly of dipeptide sodium salts derived from alanine: a molecular dynamics study" RSC Adv. 2015, 5, 102182-102190. 2. Lin Wang, Xia Xin*, Mengzhou Yang, Jinglin Shen, Shiling Yuan* "Incorpooration of graphene oxide into C12E4/C12mimBr hybrid lyotropic liquid crystal and ist thermo-sensitive properties" RSC Adv. 2015, 5, 68404-68412. 3. Lin Wang, Xia Xin*, Mengzhou Yang, Xin Ma, Jinglin Shen, Zhaohua Song, Shiling Yuan* "Effects of graphene oxide and salinity on sodium deoxycholate hydrogels and their applications in dye absorption" colloids and sufaces A, 2015, 4783, 112-120 4. Gang Liu, Heng Zhang, Wenchong Wang, Shiling Yuan* "A kinetic Monte Carlo simulaiton fo surface microfluidic patterning organic molecules based on anisotropic wetting" Chem. Phys. Letters, 2015, 628, 54-59 5. Hui Yan Shiling Yuan*, Suyuan Zeng, Meiju Niu* "The mechanism of selective deposition of luminescent molecules onto self-assembled mnolayers using molecular dynamics" Applied surface science, 2015, 349, 163-168 6. 刘刚 张恒 苑世领* 刘成卜 Monte Carlo模拟研究有机分子的模板诱导定位沉积 中国科学 2015, 45（10）: 7 马莹 张恒 苑世领* 部分水解的预交联凝胶型聚丙烯酰胺的水化层结构 高等学校化学学报 2015， 36（2）， 386-394 8. 郭凯 张恒 孙继超 苑世领 刘成卜 Fmoc-FF 二肽分子自组装过程的分子动力学研究 高等学校化学学报 2015，36（11）：2171-2178 2014年 1. 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. 2.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 3. 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 4. 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 5. 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 6.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 7.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 8. Baoruo Li, Shiling Yuan* "Synthesis, Characterization, and evaluation of TiMgAlCu mixed oxides as novel SOx removal catalysts". Ceramics International, 2014, 40, 11559-11566 9. 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 10. 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 11. 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 12. 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 13. 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 2013年 1. 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 2. 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 3. 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, 4. 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 5. 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 6. 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 7. 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 8. 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. 9. Fengfeng Gao, Hui Yan, Shiling Yuan* Fluorescent probe solubilised in cetyltrimethylammonium bromide micelles by molecular dynamics simulation. Molecular simulation, 2013, 39, 1042-1051 10. 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） 2012年 5. Qian Liu, Shiling Yuan*, Hui Yan, Xian Zhao* "Mechanism of oil detachment from a silica surface in aqueous surfactant solutions: molecular dynamics simulations" J. Phys. Chem. B 2012, 116(9): 2867-2875 4. Hui Yan, Peng Cui, Chengbu Liu, Shiling Yuan* "Molecular dynamics simulation of pyrene solubilized in a sodium dodecyl sulface micelle" Langmuir, 2012, 28,4931-4938 3. Kai Lv, Haitao Kang, Heng Zhang, Shiling Yuan* "Molecular simulaiton studies for interaction of photoactive dyes into layered double hydroxide" Colloid and Surfaces A: 2012, 402, 108-116 2. Hua Wang, Heng Zhang, Chengbu Liu, Shiling Yuan* "Coarse-grained molecular dynamics simulaiton of self-assembly of polyacrylamide and sodium dodecylsulfate in aqueous soluiton" Journal of Colloid and interface science: 2012, 386, 205-211 1. 程玉桥 延辉 张继超 苑世领*等 "钙离子对表面活性剂单层膜聚集结构的影响" 中国科学（化学）：2012, 42(7): 1097-1104 0. 即墨北阡遗址人骨稳定同位素分析：沿海先民的食物结构. 2012, 57(12): 1037-1044. 0. “Reconstructing the food structure of ancient coastal inhabitants from Beiqian village: stable isotopic analysis of fossial human bone”, Chinese science bulletin, 2012, 57(17): 21482154. 2011年. 8. Congyun Zhang, Haitao Kang, Kai Lv, Hui Chen, Shiling Yuan* "Maize phytoliths and photoluminescent silica nanotubes prepared from a natural silica resource" Ind. Eng. Chem. Res. 2011, 50, 12521-12526 7. Xinli Guo, Shouhong Yang, Shiling Yuan* Mesoscale simulation on patterned core-shell nanosphere model for amphiphilic block copolymer. Colloids and surfaces A, 2011, 384, 212-218. 6. Zhen Xu, Ke Song, Shiling Yuan*, Chenbu Liu* Microscopic wetting of self-assembled monolayers with different surfaces: a combined molecular dynamics and quantum mechanics study. Langmuir 2011, 27,8611-8620. 5. Hui Yan, Xinli Guo, Shiling Yuan*, Chengbu Liu Molecular Dynamics study of the effect of calcium ions on the monolayer of SDC and SDSn surfactant at the vapoer/liquid interface. Lanmguir 2011, 27, 5762-5771. 4. Zhen Xu, Michael Hirtz, Shiling Yuan*, Chenbu Liu, Lifeng Chi* Elective deposition of organic molecules onto different densely packed self-assembled monolayers: a molecular dynamics study. Chemical Physics Letters, 2011, 507,138-143. 3. Zhen. Xu, Shiling Yuan*, Hui, Yan, Chengbu Liu*, Adsorption of histidine and histidine-containing peptides on Au(111): a molecular dynamics study. Colloids and Surfaces A, 2011, 380, 135-142. 2. 李振泉 延辉 宋新旺 苑世领*等 基甜菜碱两性表面活性剂的结构性质. 化学学报 2011, 69, 898-904. 1. 吕凯 康海涛 苑世领* 二苯并噻吩直接加氢脱硫过程的理论研究 石油炼制与化工 2011, 42(7): 85-90. 0. 陈辉 林立 石元昌 苑世领* “小麦中植硅体形态的初步研究与分类”， 东方考古, 2011,7,341-350. 0. 康海涛 苑世领* “山东白陶佛教造像样品检测分析报告” ，山东白陶佛教造像中的第四章，文物出版社，P25-30 2010年 5. Hui Yan, Shiling Yuan*, Guiying Xu, Chenbu Liu Effect of Ca2+ and Mg2+ ions on surfactant solutions investigated by molecular dynamics simulation Langmuir 2010, 26(13): 10448-10459. 4. S. Yuan, H. Yan, K. Lv, C. Liu, S. L. Yuan*, Surface behavior of a model surfactant: A theoretical simulation study. Journal of Colloid and Interface Scicence 2010, 348, 159-166. 3. Shouhong Yang, Yuenkit Cheng, Shiling Yuan* Mesoscale simulation on patterned nanotube model for amphiphilic block copolymer Journal of Moecular Modelling. 2010, 16,1819-1824. 2. H. Chen, F. Wang, C. Zhang, Y. Shi, G. Jin, S. L. Yuan*, Preparation of nano-silica naterials: the concept from wheat straw. Journal of Non-Crystalline Solid, 2010, 356, 2781-2785. 1. 曹绪龙 吕凯 苑世领*等 阴离子表面活性剂与阳离子的相互作用 物理化学学报 2010，26，1959-1964 2009年
3. Shiling Yuan*, Xiuqing Zhang, KwongYu Chan Effects of Shear and Charge on Microphase Formation of P123 Polymer in the SBA-15 Synthesis Investigated by Mesoscale Simulations Langmuir 2009, 25(4), 2034-2045. 2. 李振泉 郭新立 苑世领* 等 阴离子表面活性剂在油水界面聚集的分子动力学模拟 物理化学学报, 2009, 25(1), 6-12. 1. 崔鹏 苑世领* 徐桂英 玉米植株中的植硅石及其纳米SiO2的制备 无机材料学报, 2009, 24(3), 512-516. 2008年
4. Hui Yan, Shiling Yuan*, Gang Liu Theoretical calculation on the reaction of alkene molecules on H-Terminated Si(100)-3*1 surface Molecular Simulation, 2008,34(5):525-531. 3. Shouhong Yang, Xiuqing Zhang, Shiling Yuan* Mesoscopic simulation studies on micellar phases of Pluronic P103 solution Journal of Molecular Modelling, 2008, 14, 607-620. 2. Shouhong Yang, Shiling Yuan*, Xiuqing Zhang, Yijing Yan Phase behavior of tri-block copolymers in solution: Mesoscopic simulation study Colloids and Surfaces A, 2008, 322, 87-96. 1. 延辉 苑世领* 刘成卜 烯烃分子在氢终止Si(100)-2*1表面的自由基链反应 物理化学学报, 2008, 24, 8-12. 2007年 2. Haihui Jiang, Shiling Yuan*, Gang Liu Theoretical study on reactions of alkene molecules on H-terminated Si(111): Density functional theory and ab initio molecule dynamics Chemical Physical Letters 2007, 438, 53-58. 1. 张秀青 苑世领* 徐桂英 刘成卜 水溶液中Pluronic嵌段共聚物聚集行为的介观模拟 物理化学学报, 2007, 23, 139-144. 2006年 6. Xiuqing Zhang, Shiling Yuan*, Jian Wu Mesoscopic simulation on phase behavior of ternary copolymeric solution in the absence and present of shear Macromolecules, 2006, 39, 6631-6642. 5. Jinxin Guo, Sixiu Sun, Shiling Yuan* Computer Simulations of Extractant Primary Amine N1923 and N1923 Hydrochloride Salt at Water/ Chloroform Interface Molecular Simulation, 2006, 32, 451-455. 4. 苑世领* 崔鹏 徐桂英 刘成卜 气液界面上阴离子表面活性剂单层膜的分子动力学模拟化学学报，2006，64(16), 1659-1664. 3. Shiling Yuan*, Lixia Ma, Xiuqing Zhang, Liqiang Zheng Molecular Dynamics Studies on Monolayer of Cetyltrimethylammonium Bromide Surfactant Formed at the Air/Water Interface Colloids and Surfaces A: 2006, 289:1-9. 2.Shiling Yuan*, Yijian Chen, Guiying Xu Molecular dynamics studies on octadecyl ammonium chloride at the air/liquid interface Colloids and Surfaces A, 2006, 280: 108-115. 1. Shiling Yuan*, Xiuqing Zhang, Guiying Xu, Dongju Zhang Mesoscopic simulation study on a weakly charged block p[olyelectrolyte in aqueous solution J. Mol. Model 2006, 12:406-410 |
