一 近五年承担的主要研究课题
1.国家自然科学基金重大项目子课题“受限空间中流体平衡与传递性质的研究”,2005-2008,项目负责人。
2.碳纳米管储氢的计算机分子模拟和分子热力学研究。973项目子课题,2001-2004,项目负责人。
3.油藏气体的相行为研究(Phase Behavior of Reservoir Gases),与荷兰壳牌公司的国际合作项目,2004-2006,项目负责人。
4.四甲基乙烯基二胺在水和环己烷-己烷溶剂中的相平衡研究,中国石化总公司项目,2002-2003,项目负责人。
5. SBS树脂胶液中氢气高压溶解度的测定与计算,中国石化总公司项目,2001-2002,项目负责人。
二 近期主要代表性论文
? ?近5年来,已在国内外的主要学术刊物上发表论文46篇,其中SCI收录论文30篇,近期主要代表性论文如下:
1. ?Yu, YX; Gao, GH; Wang, XL
Density functional theory study on the structure and capillary phase transition of a polymer- melt in a slitlike pore: Effect of attraction
JOURNAL OF PHYSICAL CHEMISTRY B, 110 (29): 14418-14425 JUL 27 2006
2. ?Yu, YX; You, FQ; Tang, YP; Gao, GH
Structure and adsorption of a hard-core multi-Yukawa fluid confined in a slitlike pore: Grand canonical Monte Carlo simulation and density functional study
JOURNAL OF PHYSICAL CHEMISTRY B, 110 (1): 334-341 JAN 12 2006
3. ?Wang, K; Yu, YX; Gao, GH
Density-functional theory and Monte Carlo simulation study on the electric double layer around DNA in mixed-size counterion systems
JOURNAL OF CHEMICAL PHYSICS, 123 (23): Art. No. 234904 DEC 15 2005
4. ?You, FQ; Yu, YX; Gao, GH
Structures and adsorption of binary hard-core Yukawa mixtures in a slitlike pore: Grand canonical Monte Carlo simulation and density-functional study
JOURNAL OF CHEMICAL PHYSICS, 123 (11): Art. No. 114705 SEP 15 2005
5. ?You, FQ; Yu, YX; Gao, GH , Structure of inhomogeneous attractive and repulsive hard-core Yukawa fluid: Grand canonical Monte Carlo simulation and density functional theory study
JOURNAL OF PHYSICAL CHEMISTRY B, 109 (8): 3512-3518 MAR 3 2005
三 获得的学术表彰与奖励
获2006年中国石油和化学工业“科学技术二等奖”,第二署名。