論文專著：
出版專著： 
1、《化工熱力學(xué)——基本內(nèi)容，習(xí)題詳解和計(jì)算程序》 ，高光華 于養(yǎng)信，清華大學(xué)出版社，2000年.
發(fā)表英文部分論文：
[1]Wu, J, Yu, YX .Efficient electrocatalysts refined from metal-dimer-anchored PC6 monolayers for NO reduction to ammonia.INTERNATIONAL JOURNAL OF HYDROGEN ENERGY[0360-3199],Published 2023,Volume 48,Issue 15,Pages 5961-5975.影響因子: 7.2
[2]Chibisov, A, Gnidenko, A, Chibisova, M, Prokhorenko, A, Yu, YX.Quantum-mechanical study of the optimal phosphorus atoms arrangement on silicene.FLATCHEM[2452-2627],Published 2023,Volume 41, 影響因子: 6.2
[3]Chibisov, AN, Chibisova, MA, Prokhorenko, AV, Obrazcov, KV, Fedorov, AS, Yu, YX .Possibilities of Controlling the Quantum States of Hole Qubits in an Ultrathin Germanium Layer Using a Magnetic Substrate: Results from ab Initio Calculations .NANOMATERIALS,Published 2023,Volume 13,Issue 23,
[4]Yu, YX .Sodium/Potassium Intercalation on the Cu4S4 Nanosheet Accompanied by a Surface Phase Transition and Their Competition with Protons .ACS APPLIED ENERGY MATERIALS[2574-0962],Published 2023,Volume 6,Issue 19,Pages 10048-10060 . 影響因子: 6.4
[5]Wu, ZH, Yu, YX, Chibisov, AN. Density functional theory investigation on fast storage of sodium and potassium in Ni2TeO6 as a novel promising cathode material.MATERIALS TODAY ENERGY[2468-6069],Published 2023,Volume 37, 影響因子: 9.3
[6]Yu, YX .Theoretical insights into surface-phase transition and ion competition during alkali ion intercalation on the Cu4Se4 nanosheet.PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076],Published 2023,Volume 26,Issue 1,Pages 323-335 .影響因子: 3.3
[7]Jiang, SY, Guo, T, Yu, YX, Hu, JW .Molecular Dynamics Simulation and a Cubic Equation of State of Supercritical Methane Up to 3000 K and 3000 MPa. INTERNATIONAL JOURNAL OF THERMOPHYSICS[0195-928X], Published 2022, Volume 43, Issue 2,影響因子: 2.416
[8]Guo, Tao,Jiang, Siyu,Yu, YangXin,Hu, Jiawen.Molecular Dynamics Simulations and a Quintic Equation of State for Nitrogen in a Wide P-T Range, with Validation of a Reference Model up to Ultrahigh P-T Conditions.Journal of Chemical and Engineering Data[0021-9568], Published 2022,影響因子: 3.119
[9]Wu, J, Yu, YX. A theoretical descriptor for screening efficient NO reduction electrocatalysts from transition-metal atoms on N-doped BP monolayer.JOURNAL OF COLLOID AND INTERFACE SCIENCE[0021-9797], Published 2022, Volume 623, Pages 432-444 影響因子: 9.965
[10]Wu, J, Yu, YX .Multi-level Descriptor Construction for Screening Eligible Single-Atom-Embedded Ternary B3C2P3 Monolayers as Nitrogen Fixation Catalysts.JOURNAL OF PHYSICAL CHEMISTRY C[1932-7447], Published 2022, Volume 126, Issue 30, Pages 12460-12471 影響因子: 4.177
[11]Yang-Xin Yu*, High storage capacity and small volume change of potassium-intercalation into novel vanadium oxychalcogenide monolayers V2S2O, V2Se2O and V2Te2O: An ab initio DFT investigation. APPLIED SURFACE SCIENCE[0169-4332]., 2021, 546, 149062 影響因子: 7.392
[12]Li, Jia-Hui; Yu, Yang-Xin*. Enhanced catalytic performance of pillared delta-MnO2 with enlarged layer spaces for lithium- and sodium-oxygen batteries: a theoretical investigation. Nanoscale, 2021, 13(48): 20637-20648. 影響因子: 8.307
[13]Wu, Jie; Yu, Yang-Xin*.Electric-Field Controllable Metal-free Materials as Efficient Electrocatalysts for Nitrogen Fixation. Journal of Physical Chemistry C, 2021, 125(43): 23699-23708. 影響因子: 4.177
[14]Wu, Jie; Yu, Yang-Xin*.Highly selective electroreduction of nitrate to ammonia on a Ru-doped tetragonal Co2P monolayer with low-limiting overpotential.Catalysis Science & Technology, 2021, 11(21): 7160-7170.影響因子: 6.177
[15]Wu, Jie; Wen, Jing; Yu, Yang-Xin*.Selective transformation of aqueous methanol to value-added formic acid and hydrogen on bifunctional Mo2P monolayers in fuel cells. Applied Surface Science, 2021, 565: 150567. 影響因子: 7.392
[16]Wen, Jing; Zhang, Wenhui; Zhang, Lirong; Zhang, Xitian; Yu, Yang-Xin*.Identification of the different contributions of pseudocapacitance and quantum capacitance and their electronic-structure-based intrinsic transport kinetics in electrode materials. Chemical Physics Letters, 2021, 775: 138666.影響因子: 2.719
[17]Li, Jia-Hui; Wu, Jie; Yu, Yang-Xin*. DFT exploration of sensor performances of two-dimensional WO3 to ten small gases in terms of work function and band gap changes and I-V responses.Applied Surface Science, 2021, 546: 149104.影響因子: 7.392
[18]Wu, Jie; Li, Jia-Hui; Yu, Yang-Xin*.Theoretical Exploration of Electrochemical Nitrate Reduction Reaction Activities on Transition-Metal-Doped h-BP.Journal of Physical Chemistry Letters, 2021, 12(16): 3968-3975.影響因子: 6.888
[19]Li, Jia-Hui; Wu, Jie; Yu, Yang-Xin*.Singlet oxygen vs. triplet oxygen: functions of 2D-MoO3 catalysts in conquering catastrophic parasitic-reactions in lithium- and sodium-oxygen batteries. Journal of Materials Chemistry A, 2021, 9(16): 10186-10198.影響因子: 14.511
[20]Wu, Jie; Li, Jia-Hui; Yu, Yang-Xin*. Single Nb or W Atom-Embedded BP Monolayers as Highly Selective and Stable Electrocatalysts for Nitrogen Fixation with Low-Onset Potentials.ACS Applied Materials & Interfaces, 2021, 13(8): 10026-10036.
[21]Li, Jia-Hui; Yu, Yang-Xin*.How Do Oxygen Vacancies Influence the Catalytic Performance of Two-Dimensional Nb2O5 in Lithium- and Sodium-Oxygen Batteries? CHEMSUSCHEM[1864-5631], Published 2021, 影響因子: 9.140
[22]Li, Jia-Hui; Wu, Jie; Yu, Yang-Xin*.Toward Large-Capacity and High-Stability Lithium Storages via Constructing Quinone-2D-MnO2-Pillared Structures. Journal of Physical Chemistry C, 2021, 125(7): 3725-3732. 影響因子: 4.177
[23]Wu, Jie; Li, Jia-Hui; Yu, Yang-Xin*.Highly stable Mo-doped Fe2P and Fe3P monolayers as low-onset-potential electrocatalysts for nitrogen fixation.Catalysis Science & Technology, 2021, 11(4): 1419-1429. 影響因子: 6.177
[24]Wu, Jie; Li, Jia-Hui; Yu, Yang-Xin*.A Theoretical Analysis on the Oxidation and Water Dissociation Resistance on Group-IV Phosphide Monolayers.ChemPhysChem, 2020, 21(22): 2539-2549.影響因子: 3.520
[25]Li, Jia-Hui; Wu, Jie; Yu, Yang-Xin*.Theoretical Exploration of Single-Layer Tl2O as a Catalyst in Lithium-Oxygen Battery Cathodes. Journal of Physical Chemistry C, 2020, 124(17): 9089-9098.影響因子: 4.177
[26]Wu, Jie; Li, Jia-Hui; Yu, Yang-Xin*.Stabilities of group-III phosphide (MP, M = B, Al, Ga and In) monolayers in oxygen and water environments.Physical Chemistry Chemical Physics, 2020, 22(14): 7633-7642. 影響因子: 3.945
[27]Yang-Xin Yu*, Effect of defects and solvents on silicone cathode of nonaqueous lithium-oxygen batteries: A theoretical investigation. J. Phys. Chem. C, 2019, 123, 205-213. 影響因子: 4.177
[28]Li, Yingfeng*; Cui, Mengqi; Yan, Hejin; Yu, Yangxin*; Li, Meicheng; Li, Xiang; Chu, Lihua; Jiang, Bing; Qin, Mingde. Excellent Infrared Nonlinear Optical Crystals BaMO(IO3)5 (M = V, Ta) Predicted by First Principle Calculations.Materials, 2018, 11(10): 1809.
[29]Zhang, Ya-Na; Yu, Yang-Xin*, Adsorptive removal of Cr3+, Cu2+, and Ni2+ ions by magnetic Fe3O4@alkali-treated coal fly ash, Desal. Water Treat., 2018, 123, 277-287. 影響因子: 1.273
[30]R. Gholizadeh, Yang-Xin Yu*, Yunjun Wang, N2O adsorption and decomposition over ZnO(0001) doped graphene: Density functional theory calculations, Applied Surface Science, 2017, 420: 944-953. 影響因子: 7.392
[31]Xin, Yan; Yu, Yang-Xin*, Possibility of bare and functionalized niobium carbide MXenes for electrode materials of supercapacitors and field emitters, Materials and Design,2017, 130, 512-520. 影響因子: 9.417
[32]Xu, Jian-Long*; Dai, Rui-Xuan; Xin, Yan; Sun, Yi-Lin; Li, Xian; Yu, Yang-Xin; Xiang, Lan; Xie, Dan*; Wang, Sui-Dong; Ren, Tian-Ling*. Efficient and Reversible Electron Doping of Semiconductor-Enriched Single-Walled Carbon Nanotubes by Using Decamethylcobaltocene Open Access.Scientific Reports, 2017, 7.影響因子: 4.996
[33]Gholizadeh, Reza*; Wang, Yujun; Yu, Yang-Xin.Molecular dynamics simulations of stability at the early stages of silica materials preparation. Journal of Molecular Structure, 2017, 1138: 198-207.影響因子: 3.841
[34]Xin, Yan, Yu, YangXin .Quantum capacitance, electrostatic potential, electronic and structural data for bare and functionalized niobium carbide MXenes.Data in Brief[2352-3409], Published 2017, Volume 15, Pages 623-637
[35]Yang-Xin Yu*, Prediction of mobility, enhanced storage capacity, and volume change during sodiation on interlayer-expanded functionalized Ti3C2 MXene anode materials for sodium-ion batteries, J. Phys. Chem. C, 2016, 120, 5288-5296. 影響因子: 4.177
[36]Xin, Yan; Zheng, Yuan-Xiang; Yu, Yang-Xin*, Density functional theory study on ion adsorption and electroosmotic flow in a membrane with charged cylindrical pores, Molecular Physics, 2016, 114(16-17): 2328-2336. 影響因子: 1.937
[37]Xin Wang, Ya-Na Zhang, Yang-Xin Yu*, Determination of solubility of sodium salts in aqueous surfactant and STPP solutions using an ion selective electrode, J. Chem. Eng. Data, 2016, 61: 2236-2243. 影響因子: 3.119
[38]Reza Gholizadeh, Yang-Xin Yu*, N2O+CO reaction over Si- and Se-doped graphenes: An ab initio DFT study, Applied Surface Science, 2015, 357(1): 1187-1195.
[39]Xin, Yan; Hou, S. C.; Xiang, Lan; Yu, Yang-Xin*.Adsorption and substitution effects of Mg on the growth of calcium sulfate hemihydrate: An ab initio DFT study.Applied Surface Science, 2015, 357: 1552-1557.
[40]Xin, Y.; Xiang, L.; Yu, Y. -X.*.Influence of structure on the morphology of CaSO4 center dot nH2O (n=0, 0.5, 2): A molecular simulation study.Materials Research Innovations, 2015, 19.
[41]Yan Xin; Lan Xiang; Yang-Xin Yu*.Influenceof structure on the morphology of CaSO4nH2O (n=0, 0.5, 2): A molecularsimulation study.Materials Research Innovations, 2015, 19(S2).
[42]Yang-Xin Yu*, Binding energy and work function of organic electrode materials phenethraquinone, pyromellitic dianhydride and their derivatives adsorbed on graphene, ACS Appl. Mater. Interfaces 2014, 6, 16267−16275. 影響因子: 10.383
[43]Yang-Xin Yu*, A dispersion-corrected DFT study on adsorption of battery active materials anthraquinone and its derivatives on monolayer graphene and h-BN. J. Mater. Chem. A, 2014, 2, 8910-8917. 影響因子: 14.511
[44]Gholizadeh, Reza; Yu, Yang-Xin*.Work Functions of Pristine and Heteroatom-Doped Graphenes under Different External Electric Fields: An ab Initio DFT Study.Journal of Physical Chemistry C, 2014, 118(48): 28274-28282. 影響因子: 4.177
[45]Li, Yingfeng; Li, Meicheng*; Wang, Tai; Bai, Fan; Yu, Yang-Xin. DFT study on the atomic-scale nucleation path of graphene growth on the Cu(111) surface.Physical Chemistry Chemical Physics, 2014, 16(11): 5213-5220.影響因子: 3.945
[46]Yang-Xin Yu*, Graphenylene: a promising anode material for lithium-ion batteries with high mobility and storage, JJOURNAL OF MATERIALS CHEMISTRY A[2050-7488], 2013, 1, 13559–13566. 影響因子: 14.511
[47]Yang-Xin Yu*, Can all nitrogen-doped defects improve the performance of graphene anode materials for lithium-ion batteries? Phys. Chem. Chem. Phys., 2013, 15, 16819-16827. 影響因子: 3.945
[48]Yu YangXin*; Fujimoto, Shintaro.Simulation study on dynamics of A- to B-form transition in aqueous DNA solution: Effect of alkali metal counterions.Science China Chemistry, 2013, 56(12): 1735-1742.影響因子: 10.138
[49]Li, Yingfeng; Li, Meicheng*; Gu, TianSheng; Bai, Fan; Yu, Yue; Trevor, Mwenya; Yu, Yangxin. An important atomic process in the CVD growth of graphene: Sinking and up-floating of carbon atom on copper surface.Applied Surface Science, 2013, 284: 207-213.影響因子: 7.392
[50]Li, Yingfeng*; Li, Meicheng; Gu, TianSheng; Bai, Fan; Yu, Yue; Mwenya, Trevor; Yu, Yangxin. The over-step coalescence of carbon atoms on copper surface in the CVD growth of graphene: density functional calculations.AIP Advances, 2013, 3(5): 052130.
[51]Yu YangXin*; Fujimoto, Shintaro. Molecular dynamics simulation of the A-DNA to B-DNA transition in aqueous RbCl solution. Science China Chemistry, 2013, 56(4): 524-532.影響因子: 10.138
[52]Jing, Yu; Wei, Li; Wang, Yundong*; Yu, Yangxin.Molecular simulation of MCM-41: Structural properties and adsorption of CO2, N2 and flue gas.Chemical Engineering Journal, 2013, 220: 264-275.影響因子: 16.744
[53]Qin, Shan-Shan; Yu, Yang-Xin; Li, Qi-Kai; Yu, Zhi-Wu*. Interaction of Human Synovial Phospholipase A2 with Mixed Lipid Bilayers: A Coarse-Grain and All-Atom Molecular Dynamics Simulation Study.Biochemistry, 2013, 52(8): 1477-1489.影響因子: 3.321
[54]An, Baolin, Duan, Yuanyuan, Yu, Yangxin .The influence of molecular relaxation on the gaseous sound speed measurements using a fixed path acoustic resonator.Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics[0253-231X], Published 2013, Volume 34, Issue 4, Pages 613-617
[55]Zhen-Zhen Qiu; Yang-Xin Yu*; Jian-Guo Mi. Adsorption of carbon monoxide on Ag(I)-ZSM-5 zeolite: An ab initio density functional theory study.Applied Surface Science, 2012, 258(24): 9629-9635.影響因子: 7.392
[56]Li YingFeng; Yu YangXin*; Zheng YuanXiang; Li JiDing. Vapor-liquid equilibrium properties for confined binary mixtures involving CO2, CH4, and N-2 from Gibbs ensemble Monte Carlo simulations.Science China Chemistry, 2012, 55(9): 1825-1831.影響因子: 10.138
[57]Zhou Guang-Gang*; Lu Gui-Wu; Jiao Yu-Qiu; Li Ying-Feng; Wang Kun; Yu Yang-Xin. A molecular simulation study on adsorption behavior of solid-liquid interface in KDP crystal.Acta Physica Sinica, 2012, 61(1): 010204.影響因子: 0.906
[58]Yu, Yangxin*..Theoretical study on mechanical and thermophysical properties for solid cerium oxide.Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics[0253-231X], Published 2012, Volume 33, Issue 9, Pages 1483-1486
[59]Yuan-Xiang Zheng; Yang-Xin Yu*; Ying-Feng Li.An Equation of State for the Isotropic-Nematic Phase Transition of Semiflexible Polymers.Industrial and Engineering Chemistry Research, 2011, 50: 6460-6469. 影響因子: 4.326
[60]Zhang, Xu-Guang; Yu, Yang-Xin.A viscosity equation for polyatomic fluids under normal and high pressures.Fluid Phase Equilibria, 2010, 295(2): 237-243.影響因子: 2.745
[61]Shintaro Fujimoto; Yu Yang-Xin*.Effect of electrolyte concentration on DNA A-B conformational transition: An unrestrained molecular dynamics simulation study.Chinese Physics B, 2010, 19(8): 88701. 影響因子: 1.652
[62]Li Ying-Feng; Yu Yang-Xin*; Zheng Yuan-Xiang; Li Ji-Ding. Shift of the azeotropic point of binary Lennard-Jones mixtures confined in a slit-like pore.Fluid Phase Equilibria, 2010, 292(1): 110-116.影響因子: 2.745
[63]Yu Yang-Xin*; Li Ying-Feng; Zheng Yuan-Xiang.Thin-thick film transitions on a planar solid surface: A density functional study.Chinese Physics Letters, 2010, 27(3): 37101. 影響因子: 2.293
[64]Zhang, XuGuang, Mi, Jianguo, Yu, Yangxin*,.Prediction of fluid viscosity from residual entropy.Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics[0253-231X], Published 2010, Volume 31, Issue 7, Pages 1105-1108
[65]Hu Jia-Wen, Yu Yang-Xin,* High-order virial coefficients and equation of state for hard sphere and hard disk systems, Physical Chemistry Chemical Physics, 2009, 11(41): 9382-9390. (SCI號(hào): 506SF) 影響因子: 3.945
[66]Peng Bo, Yu Yang-Xin*, Ion distributions, exclusion coefficients, and separation factors of electrolytes in a charged cylindrical nanopore: A partially perturbative density functional theory study, Journal of Chemical Physics, 2009, 131(13): 134703. Has been selected for the October 19, 2009 issue of Virtual Journal of Nanoscale Science & Technology and the October 15, 2009 issue of Virtual Journal of Biological Physics Research. (SCI號(hào): 507BR ; EI號(hào)：20094512426771) 影響因子: 4.304
[67]Yu Yang-Xin, A novel weighted density functional theory for adsorption, fluid-solid interfacial tension, and disjoining properties of simple liquid films on planar solid surfaces, J. Chem. Phys. 131( 2): 024704 ( 2009). (SCI號(hào): 470NU; EI號(hào)：20093012221664) 影響因子: 4.304
[68]Hu Jia-Wen, Yu Yang-Xin*, Prediction and Refinement of High-Order Virial Coefficients for a Hard-Sphere System, Chinese Physics Letters, 26(8): 086404 (2009). (SCI號(hào): 479ME) 影響因子: 2.293
[69]Qin Shan-Shan, Yu Zhi-Wu, Yu Yang-Xin, Structural Characterization on the Gel to Liquid-Crystal Phase Transition of Fully Hydrated DSPC and DSPE Bilayers, Journal of Physical Chemistry B, 2009, 113(23): 8114-8123. (SCI號(hào): 454JW; EI號(hào)：20092712167924) 影響因子: 3.466
[70]Qin Shan-Shan, Yu Zhi-Wu, Yu Yang-Xin, Structural and kinetic properties of a-tocopherol in phospholipids bilayers, a molecular dynamics simulation study, Journal of Physical Chemistry B, 2009, 113(52): 16537-16546. (SCI號(hào): 534ZS; EI號(hào)：20100112617379) 影響因子: 3.466
[71]Yu Yang-Xin*; Gong Qiang; Zhao Jin; A. E. Bayly.Development of enzymes, bleaching systems and polymers in detergent formulations (Review).Trends in Chemical Engineering, 2009, 12(1): 1-18.
[72]Peng, Bö, Li, Yingfeng, Yu, Yangxin.Simulation and theoretical study of capillary condensation of nitrogen in MCM-41.Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics[0253-231X], Published 2009, Volume 30, Issue 12, Pages 1991-1994
[73]Wang Ke, Yu Yang-Xin*, Gao Guang-Hua, Density functional study on the structural and thermodynamic properties of aqueous DNA-electrolyte solution in the frame work of cell model, J. Chem. Phys., 2008, 128(18): 185101.(SCI號(hào): 302QJ; EI號(hào)：082211280038) 影響因子: 4.304
[74]Peng Bo, Yu Yang-Xin*, A Density Functional Theory with a Mean-field Weight Function: Applications to Surface Tension, Adsorption, and Phase Transition of a Lennard-Jones Fluid in a Slit-like Pore, Journal of Physical Chemistry B, 2008, 112(48): 15407-15416. (SCI號(hào): 376YF; EI號(hào)：20090111826315) 影響因子: 3.466
[75]Peng Bo, Yu Yang-Xin, A Density Functional Theory for Lennard-Jones Fluids in Cylindrical Pores and Its Applications to Adsorption of Nitrogen on MCM-41 Materials, Langmuir, 2008, 24(21): 12431-12439. (SCI號(hào): 336UL; EI號(hào)：084811745820) 影響因子: 4.331
[76]Yu Yang-Xin, Zhao Jin, Andrew E. Bayly, Development of surfactants and builders in detergent formulations, Chinese Journal of Chemical Engineering, 2008, 16(4): 517-527.(SCI號(hào): 346WN; EI號(hào)：083611520420) 影響因子: 3.898
[77]Yu Yang-Xin*, Jin Lin, Thermodynamic and structural properties of mixed colloids represented by a hard-core two-Yukawa mixture model fluid: Monte Carlo simulation and an analytical theory, Journal of Chemical Physics, 2008, 128(1): 014901.(SCI號(hào): 248YR; EI號(hào)：080311031905) 影響因子: 4.304
[78]Gao Guang-Hua, Shi Hong-bing, Yu Yang-Xin, Mutual dffusion coefficients of concentrated 1:1 electrolyte from the modified mean spherical approximation, Fluid Phase Equilibria, 2007, 256(1-2): 105-111. (SCI號(hào): 185VW; EI號(hào)：072210631247) 影響因子: 2.745
[79]Yu Yang-Xin*, Gong, Qiang; Huang, Li-Li, Measurement of activity coefficient at infinite dilution of hydrocarbons in sulfolane using gas-liquid chromatography, Journal of Chemical and Engineering Data, 2007, 52(4): 1459-1463. (SCI號(hào): 189CO; EI號(hào)：073310760819) 影響因子: 3.119
[80]Wang Ke, Yu Yang-Xin*, Gao Guang-Hua, Luo Guang-sheng, Preferential interaction between DNA and small ions in mixed-size counterion systems: Monte Carlo simulation and density functional study, Journal of Chemical Physics, 2007, 126(13): 135102. (SCI號(hào)：154MT; EI號(hào)：071510548527) 影響因子: 4.304
[81]Yu Yang-Xin*, Wang Ke, Gao Guang-Hua, Density functional study on the osmotic coefficient for the DNA-electrolyte solutions, Fluid Phase Equilibria, 2007, 256(1): 20-26. (SCI號(hào): 185VW; EI號(hào)：072210631238) 影響因子: 2.745
[82]Fu Sheng; Yu Yang-Xin; Wang Xiao-Lin.Theoretical investigation on the separation characteristics of electrolyte solutions with the nanofiltration membranes (II): mixed electrolyte solutions.Acta Chimica Sinica, 2007, 65(10): 923-929.影響因子: 2.789
[83]Zhu, Jie; Wang, Yao*; Li, Wenjun; Wei, Fei; Yu, Yangxin.A density functional study of nitrogen adsorption in single-wall carbon nanotubes.Nanotechnology, 2007, 18(9): 095707. 影響因子: 3.953
[84]Zhao, Xiuwen, Wang, Yundong, Yu, Yangxin .Mesoscopic dynamics simulation of diblock copolymer: Morphology and kinetics. Qinghua Daxue Xuebao/Journal of Tsinghua University[1000-0054], Published 2007, Volume 47, Issue 9, Pages 1507-1510
[85]Jin Lin, Yu Yang-Xin*, Gao Guang-Hua, A molecular-thermodynamic model for the interactions between globular proteins: Applications to bovine serum albumin (BSA), lysozyme, a-chymotrypsin, and immuno-gamma-globulins (IgG) solutions. Journal of Colloid and Interface Science,2006, 304(1): 77-83. (SCI號(hào)：099KK; EI號(hào)：EI 064310199885) 影響因子: 9.965
[86]Fu Sheng; Yu Yang-Xin; Gao Guang-Hua; Wang Xiao-Lin.Theoretical investigation on the separation characteristics of electrolyte solutions with the nanofiltration membranes (I): Single electrolyte solutions.Acta Chimica Sinica, 2006, 64(22): 2241-2246.影響因子: 2.789
[87]Shang Wei-Juan, Wang Xiao-Lin*, Yu Yang-Xin, Theoretical calculation on the membrane potential of charged porous membranes in 1-1, 1-2, 2-1 and 2 -2 electrolyte solutions, Journal of Membrane Science., 2006, 285(1-2): 362-375. (SCI號(hào)：107ZH; EI號(hào)：EI 064210190890) 影響因子: 10.530
[88]Yu Yang-Xin, Gao Guang-Hua, Wang Xiao-Lin, 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, 2006, 110(29): 14418-14425. (SCI號(hào)：065EI; EI號(hào)：EI063310061827) 影響因子: 3.466
[89]Wang, SM*; Yu, YX; Gao, GH.Effect of temperature on the permeation and separation of oxygen and nitrogen in carbon membranes: A non-equilibrium molecular dynamics simulation study.Acta Chimica Sinica, 2006, 64(11): 1111-1115.影響因子: 2.789
[90]Wang, SM; Yu, YX; Gao, GH. Non-equilibrium molecular dynamics simulation on pure gas permeability through carbon membranes. Chinese Journal of Chemical Engineering, 2006, 14(2): 164-170.
[91]Yu Yang-Xin*, You Feng-Qi, Tang Yiping, Gao Guang-Hua, Li Yi-Gui, 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, 2006, 110(1): 334-341. 影響因子: 3.466
[92]Wang Shu-Mei, Yu Yang-Xin*, Gao Guang-Hua, Grand canonical Monte Carlo and non-equilibrium molecular dynamics simulation study on the selective adsorption and fluxes of oxygen/nitrogen gas mixtures through carbon membranes, Journal of Membrane Science., 2006, 271(1): 140-150. 影響因子: 10.530
[93]Wang, Shumei, Yu, Yangxin, Gao, Guanghua .Non-equilibrium molecular dynamics simulation on pure gas permeability through carbon membranes.Chinese Journal of Chemical Engineering[1004-9541], Published 2006, Volume 14, Issue 2, Pages 164-170.影響因子: 3.898
[94]Shang, Weijuan, Wang, Xiaolin, Yu, Yangxin.Transport phenomena of charged membranes based on charge models. Huagong Xuebao/Journal of Chemical Industry and Engineering (China)[0438-1157], Published 2006, Volume 57, Issue 8, Pages 1827-1834
[95]Zhang, Y; Yang, JC*; Yu, YX; Li, YG.Structural and hydrogen bond analysis for supercritical ethanol: A molecular simulation study. Journal of Supercritical Fluids, 2005, 36(2): 145-153.
[96]Wang, SM; Gao, GH*; Yu, YX; Wang, XL.Molecular simulation of equilibrium adsorption of nitrogen and oxygen both in slit pore and on membrane surface.Chemical Journal of Chinese Universities, 2005, 26(11): 2113-2116.影響因子: 0.786
[97]Zhang, Y; Yang, JC*; Yu, YX; Li, YG.Molecular simulation and its applications in the field of supercritical fluids. Progress in Chemistry, 2005, 17(6): 955-962.影響因子: 1.044
[98]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, 2005, 123(11): 114705.影響因子: 4.304
[99]Zhang, Y; Yang, JC; Yu, YX*.Dielectric constant and density dependence of the structure of supercritical carbon dioxide using a new modified empirical potential model: A Monte Carlo simulation study.Journal of Physical Chemistry B, 2005, 109(27): 13375-13382.影響因子: 3.466
[100]Shi, HB; Yu, YX; Gao, GH*.Study on the transport properties of aqueous electrolyte solution by brownian dynamics simulation.Acta Chimica Sinica, 2005, 63(5): 358-362.影響因子: 2.789
[101]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, 2005, 109(8): 3512-3518.影響因子: 3.466
[102]Shi, HB; Gao, GH*; Yu, YX.Self-diffusion coefficients of ions in primitive model electrolyte solutions by smart Brownian dynamics simulation.Fluid Phase Equilibria[0378-3812], Published 2005, Volume 228-229, Pages 535-540.影響因子: 2.745
[103]Yu, YX*; Wu, JZ; You, FQ; Gao, GH.A self-consistent theory for the inter- and intramolecular correlation functions of a hard-sphere-Yukawa-chain fluids.Chinese Physics Letters, 2005, 22(1): 246-249.影響因子: 2.293
[104]You Fengqi; Fu Sheng; Yu Yangxin*; Gao Guanghua. Density functional for structures of colloids confined in a slit-like pore.China Particuology, 2005, 3(5): 265-270.
[105]Zhang Yang; Yang Jichu; Yu Yang-Xin*.Dielectric constant and density dependence of the structure of supercritical carbon dioside using a new modified empirical potential model: A Monte Carlo simulation study. Journal of Physical Chemistry B, 2005, 109(27): 13375-13382.
[106]Zhang Yang; Yang Jichu; Yu Yang-Xin; Li Yi-Gui. Structure and hydrogen bond analysis for supewrcritical ethanol: A molecular simulation study.Journal of Supercritical Fluids, 2005, 36(2): 145-153.影響因子: 4.514
[107]Yu Yang-Xin*; Tian Ai-Wei; Gao Guang-Hua. Prediction of collective diffusion coefficient of bovine serum albumin in aqueous electrolyte solution with hard-core two-Yukawa potential.Phys. Chem. Chem. Phys., 2005, 7(12): 2423-2428.影響因子: 3.945
[108]Wang Ke; Yu Yang-Xin*; Gao Guang-Hua; Lao Guang-sheng. Density functional theory and Monte Carlo simulation study on the electric double layer around DNA in mixed-size counterion systems.J. Chem. Phys., 2005, 123(23): 234904.影響因子: 4.304
[109]Wang, Ke, Wang, Shumei, Yu, Yangxin, Gao, Guanghua .Prediction of properties of charged semipermeable membranes using density functional theory. Qinghua Daxue Xuebao/Journal of Tsinghua University[1000-0054], Published 2005, Volume 45, Issue 9, Pages 1251-1254 王可,王淑梅,于養(yǎng)信,高光華.用密度泛函理論預(yù)測(cè)帶電半透膜性質(zhì)[J].清華大學(xué)學(xué)報(bào)(自然科學(xué)版),2005, 45(9): 1251-1254.
[110]Shi, HB; Yu, YX; Gao, GH*. Brownian dynamics simulation of self-diffusion coefficients of electrolyte solutions. Chemical Journal of Chinese Universities, 2004, 25(12): 2317-2321.影響因子: 0.786
[111]Yu, YX*; Wu, JZ; Gao, GH. Ionic distribution, electrostatic potential and zeta potential at electrochemical interfaces.Chinese Journal of Chemical Engineering, 2004, 12(5): 688-695.影響因子: 3.898
[112]Yu, YX*; Wu, JZ; Xin, YX; Gao, GH.Structures and correlation functions of multicomponent and polydisperse hard-sphere mixtures from a density functional theory.Journal of Chemical Physics, 2004, 121(3): 1535-1541.影響因子: 4.304
[113]Yu, YX*; Wu, JZ; Gao, GH. Density-functional theory of spherical electric double layers and zeta potentials of colloidal particles in restricted-primitive-model electrolyte solutions.Journal of Chemical Physics, 2004, 120(15): 7223-7233.影響因子: 4.304
[114]Gu, C; Gao, GH*; Yu, YX. Density functional study of the adsorption and separation of hydrogen in single-walled carbon nanotube.International Journal of Hydrogen Energy, 2004, 29(5): 465-473.影響因子: 7.139
[115]Wang Ke; Yu Yang-Xin*; Gao Guang-Hua.Density functional study on the structures and thermodynamic properties of small ions around polyanionic DNA.Physics Review E, 2004, 70(1): 11912.
[116]Yu, Yangxin, Xin, Yuxuan, Shi, HongBing, Gao, Guanghua .Structures of ternary hard-sphere fluids predicted by an improved density functional theory.Gao Xiao Hua Xue Gong Cheng Xue Bao/Journal of Chemical Engineering of Chinese Universities[1003-9015], Published 2004, Volume 18, Issue 4, Pages 524-528 于養(yǎng)信,信宇軒,史紅兵,高光華.用改進(jìn)的密度泛函理論預(yù)測(cè)三元硬球混合物的結(jié)構(gòu)[J].高�；瘜W(xué)工程學(xué)報(bào),2004, 18(4): 524-528.
[117]Yu, YX; Wu, JZ*.A modified fundamental measure theory for spherical particles in microchannels.Journal of Chemical Physics, 2003, 119(4): 2288-2295.影響因子: 4.304
[118]Gu, C; Gao, GH*; Yu, YX. Density functional study of hydrogen adsorption at low temperatures.Journal of Chemical Physics, 2003, 119(1): 488-495. (SCI號(hào) : 691BR) 影響因子: 4.304
[119]Yu, YX; Gao, GH*; Daridon, JL; Lagourette, B.Prediction of solid-liquid equilibria in mixed electrolyte aqueous solution by the modified mean spherical approximation.Fluid Phase Equilibria, 2003, 206(1-2): 205-214.(SCI號(hào) : 681WV; EI號(hào)：EI03217475267) 影響因子: 2.745
[120]Yu Yang-Xin, Wu Jianzhong*.Extended test-particle method for predicting the inter- and intramolecular correlation functions of polymeric fluids.Journal of Chemical Physics, 2003, 118(8): 3835-3842. (SCI號(hào) : 642KP; EI號(hào)：EI03127404311). Collected by Virtual Journal of Biological Physics Research, Volume 5, Issue 4, (Feb. 15, 2003). 影響因子: 4.304
[121]Wu Jiangzhong; Yu Yang-Xin.Density functional theory of inhomogeneous mixtures of polymeric fluids.ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY[0065-7727], Published 2003, Volume 225, Pages U630-U630
[122]Yu Yang-Xin; Gao Guang-Hua; Daridon J-L; Lagourette B. Predicition of solid-liquid equilibria in mixed electrolyte equeous solution by the modified mean spherical approximation.Fluid Phase Equilibria, 2003, 205(1-2): 205-214.
[123]Wu, JZ, Yu, YX.Extended test-particle method for predicting the inter- and intra-molecular correlation functions of polymeric fluids.ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY[0065-7727], Published 2003, Volume 225, Pages U608-U608
[124]Yi, Ke, Yu, Yangxin, Gao, Guanghua .Liquid thermal conductivity equation based on the square-well model.Qinghua Daxue Xuebao/Journal of Tsinghua University[1000-0054], Published 2003, Volume 43, Issue 10, Pages 1313-1316 易坷,于養(yǎng)信,高光華.基于方阱模型計(jì)算液體的導(dǎo)熱率[J].清華大學(xué)學(xué)報(bào)(自然科學(xué)版),2003, 43(10): 1313-1316.
[125]Yu Yang-Xin, Wu Jianzhong*. Structures of hard-sphere fluids from a modified fundamental-measure theory. Journal of Chemical Physics, 2002, 117(22): 10156-10164.(SCI號(hào) : 617BP; EI號(hào)：EI03037325984) 影響因子: 4.304
[126]Yu Yang-Xin, Wu Jianzhong*.Density functional theory for inhomogeneous mixtures of polymeric fluids. Journal of Chemical Physics, 2002, 117(5): 2368-2376.(SCI號(hào): 574DY; EI號(hào)：EI02367067636) 影響因子: 4.304
[127]Tong, QY; Gao, GH*; Han, MH; Yu, YX. Study of self-diffusion coefficient in nonassociating and associating fluids by a new hard-sphere chain equation.International Journal of Thermophysics, 2002, 23(3): 635-647.影響因子: 2.416
[128]Yu Yang-Xin; Wu Jiangzhong. A fundamental-measure theory for inhomogeneous associating fluids.Journal of Chemical Physics, 2002, 116(16): 7094-7103.(SCI號(hào) : 541FB; EI號(hào)：EI02226964225) 影響因子: 4.304
[129]Gu, C; Gao, GH*; Yu, YX; Nitta, T. Simulation for separation of hydrogen and carbon monoxide by adsorption on single-walled carbon nanotubes. Fluid Phase Equilibria, 2002, 194: 297-307.(SCI號(hào): 537TL; EI號(hào)：EI02146904769) 影響因子: 2.745
[130]Yu, YX, Wu, JZ.Loads combination method based Core Schema Genetic Shortest-path Algorithm for distribution network reconfiguration.POWERCON 2002: INTERNATIONAL CONFERENCE ON POWER SYSTEM TECHNOLOGY, VOLS 1-4, PROCEEDINGS, Published 2002, Pages 1729-1733
[131]Yu, Yangxin, Chen, Zhong, Gao, Guanghua. Prediction of high pressure vapor-liquid equilibria using a new mixing rule for the PR equation of state.Qinghua Daxue Xuebao/Journal of Tsinghua University[1000-0054], Published 2002, Volume 42, Issue 5, Pages 595-598 于養(yǎng)信,陳中,高光華.用PR方程新的混合規(guī)則預(yù)測(cè)高壓汽液平衡[J].清華大學(xué)學(xué)報(bào)(自然科學(xué)版),2002, 42(5): 595-598.
[132]He, Qian L., Gao, Guanghua, Yu, Yangxin.Liquid-liquid equilibrium for the multiphase system of benzene - p-xylene - heptane - 1,2-ethanediol - N-methyl-2-pyrrolidone.Petrochemical Technology[1000-8144], Published 2002, Volume 31, Issue 7, Pages 539-543何千里,高光華,于養(yǎng)信.苯、對(duì)二甲苯、庚烷、乙二醇、N-甲基吡咯烷酮多組分體系液液平衡的研究[J].石油化工, 2002, 31(7): 539-543.
[133]Yu Yang-Xin*, He Ming-Yan, Gao Guang-Hua, Li Zong-Cheng, Boling points Equilibria for Five Binary Systems of Sulfolane with Aromatic hydrocarbons at 101.33kPa, Fluid Phase Equilibria, 2001, 190(1-2): 61-71.(SCI號(hào)：499XC; EI號(hào)：EI01556804026) 影響因子: 2.745
[134]Gu Chong, Gao Guang-Hua*, Yu Yang-Xin, Mao Zong-Qiang, Simulation Study of Hydrogen Storage in Single Walled Carbon Nanotubes, International Journal of Hydrogen Energy, 2001, 26(7): 691-696.(SCI號(hào)：452WY; EI號(hào)：EI01336614831) 影響因子: 7.139
[135]Gu, C; Gao, GH*; Yu, YX; Mao, ZQ. Computer simulations of hydrogen adsorption in single-walled carbon nanotubes.Chemical Journal of Chinese Universities, 2001, 22(6): 958-961.影響因子: 0.786
[136]Tan Zhi-Qiang, Gao Guang-Hua*, Yu Yang-Xin, Gu Chong, Solubility of oxygen in aqueous sodium carbonate solution at pressures up to 10Mpa, Fluid Phase Equilibira,, 2001, 180(1-2): 375-382.(SCI號(hào)：431DH; EI號(hào)：EI) 影響因子: 2.745
[137]Yu Yang-Xin, Gao Guang-Hua*, Study on Self-Diffusion in Water, Alcohols and Hydrogen Fluoride by the Statistical Associating Fluid Theory, Fluid Phase Equilibria, 2001, 179(1-2): 165-179.(SCI號(hào)：425QV; EI號(hào)：EI01226519595) 影響因子: 2.745
[138]Yu Yang-Xin*, Han Ming-Han, Gao Guang-Hua,.Self-diffusion in a fluid of square-well spheres. Physical Chemistry Chemical Physics, 2001, 3(3): 437-443.(SCI號(hào)：394TE) 影響因子: 3.945
[139]Yu, Yangxin, Gao, Guanghua .Study on the self-diffusion coefficient for the long chain molecules under high pressures.Gao Xiao Hua Xue Gong Cheng Xue Bao/Journal of Chemical Engineering of Chinese Universities[1003-9015], Published 2001, Volume 15, Issue 1, Pages 1-5 于養(yǎng)信,高光華.高壓下長(zhǎng)鏈分子的自擴(kuò)散系數(shù)研究[J].高�；瘜W(xué)工程學(xué)報(bào),2001, 15(1): 1-5.
[140]Yu Yang-Xin*, Zhang Qing-Yin, Gao Guang-Hua,Thermodynamics of the system HNO3-UO2(NO3)2-H2O at 298.15 K.Journal of Radioanalytical and Nuclear Chemistry, 2000, 245(3): 581-587. (SCI號(hào)：360NE) 影響因子: 1.754
[141]Yu Yang-Xin, Gao Guang-Hua*, Li Yi-Gui, Surface Tension for Aqueous Electrolyte Solutions by the Modified Mean Spherical Approximation, Fluid Phase Equilibria, 2000, 173(1): 23-38.(SCI號(hào)：359WQ；EI號(hào)：) 影響因子: 2.745
[142]Yu Yang-Xin, Liu Jian-Gang, Gao Guang-Hua*, Isobaric vapor-liquid equilibria and excess volumes for the binary mixtures water plus sulfolane, water plus tetraethylene glycol, and benzene plus tetraethylene glycol. Journal of Chemical and Engineering Data, 2000, 45(4): 570-574. (SCI號(hào)：337PL；EI號(hào)：00085294656) 影響因子: 3.119
[143]Jiang Qin, Gao Guang-Hua*, Yu Yang-Xin, Qin Yong, .Solubility of sodium dimethyl isophthalate-5-sulfonate in water and in water plus methanol containing sodium sulfate .Journal of Chemical and Engineering Data, 2000, 45(2): 292-294. (SCI號(hào)：294GG; EI號(hào): EI00055168886) 影響因子: 3.119
[144]Yu Yang-Xin, Gao Guang-Hua*, Lennard-Jones chain model for self-diffusion of n-alkanes. International Journal of Thermophysics, 2000, 21(1): 57-70.(SCI號(hào): 304VZ; EI 號(hào): EI00055168984) 影響因子: 2.416
[145]Gu, C, Yu, YX, Gao, GH .Monte Carlo simulations of hydrogen adsorption in single-walled carbon nanotubes.HYDROGEN ENERGY PROGRESS XIII, VOLS 1 AND 2, PROCEEDINGS, Published 2000, Pages 1342-1346
[146]Liu, Jiangang, Yu, Yangxin, Gao, Guanghua .Determination and correlation of isobaric vapor - liquid equilibria data for tetraethylene glycol - water and tetraethylene glycol - m - xylene systems.Petrochemical Technology[1000-8144], Published 2000, Volume 29, Issue 3, Pages 191-194
[147]Yu Yang-Xin; Liu Jian-Gang; Gao Guang-Hua. Isobaric vapor-liquid equilibria for three aromatic hydrocarbon-tetraethylene glycol binary systems at 101.33kPa. Fluid Phase Equilibria, 1999, 157(2): 299-307. (SCI號(hào)：196UW; EI號(hào)：EIP99064706932) 影響因子: 2.745
[148]Yu Yang-Xin; Gao Guang-Hua. Self-diffusion coefficient equation for polyatomic fluid. Fluid Phase Equilibria, 1999, 166(1): 111-124.(SCI號(hào)：265RT; EI01015486967) 影響因子: 2.745
[149]Gao Guang-Hua; Tan Zhi-Qiang; Yu Yang-Xin. Calculation of high pressure solubility of gas in aqueous electrolyte solution based on non-primitive mean spherical approximation and perturbation theory.Fluid Phase Equilibria, 1999, 165(2): 169-182. (SCI號(hào)：260HL; EI號(hào)：EI99124948779) 影響因子: 2.745
[150]Yu Yang-Xin*; Bao Tie-Zhu; Gao Guang-Hua; Li Yi-Gui. Densities and apparent molar volumes for aqueous solutions of HNO3-UO2(NO3)2 at 298.15K. Journal of Radioanalytical and Nuclear Chemistry, 1999, 241(2): 373-377. (SCI號(hào)：225XN) 影響因子: 1.754
[151]Yu, Yangxin, Zhu, Wentao, Liu, Jiangang, Gao, Guanghua.Correlation and prediction of vapor-liquid equilibria for a system containing salt.Qinghua Daxue Xuebao/Journal of Tsinghua University[10000054], Published 1999, Volume 39, Issue 12, Pages 1-3, 7 于養(yǎng)信,朱文濤,劉建剛,高光華.混合溶劑含鹽體系汽液平衡的關(guān)聯(lián)與預(yù)測(cè)[J].清華大學(xué)學(xué)報(bào)(自然科學(xué)版),1999，39(12):1-3+7.
[152]Yu Yang-Xin, Li Yi-Gui*, Excess molar volumes of sulfolane in binary mixtures with six aromatic hydrocarbons at 298.15 K. Fluid Phase Equilibria, 1998, 147(1-2): 207-213.(SCI號(hào)：102YF；EI號(hào)：EIP98074308214). 影響因子: 2.745
[153]Gao, GH*; Yu, YX. High pressure liquid-liquid equilibria at 8 MPa for water-2-butanol-C-4-hydrocarbon (n-butane plus trans-7-butene plus cis-2-butene) system.Fluid Phase Equilibria, 1998, 142(1-2): 243-251.影響因子: 2.745
[154]Yu Yang-Xin; Li Yi-Gui.Excess molar volumes of sulflane in binary mixtures with six aromatic hydrocarbons at 298.15K.Fluid Phase Equilibria, 1998, 147(1-2): 207-213.
[155]Yu Yang-Xin; Lu Jiu-Fang; Tong Jing-Shan; Li Yi-Gui. Equation of state for hard-sphere chain molecules.
Fluid Phase Equilibria, 1994, 102(2): 159-172.(SCI號(hào)：QG354； EI號(hào)： EIP95032636912)
[156]Yu, Yangxin, Gao, Guanghua .Prediction of thermal conductivities of liquid N-alkanes by the modified Enskog theory.Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics[0253231X], Published 1997, Volume 18, Issue 5, Pages 543-546 于養(yǎng)信,高光華.用擴(kuò)展的Enskog理論預(yù)測(cè)正構(gòu)烷烴的導(dǎo)熱率[J].工程熱物理學(xué)報(bào), 1997, 18(5): 543-546.
[157]Yu, Yangxin, Lu, Jiafang, Li, Yigui .Study on thermodynamic properties of aqueous lithium salts.Qinghua Daxue Xuebao/Journal of Tsinghua University[1000-0054], Published 1997, Volume 37, Issue 12, Pages 40-43.于養(yǎng)信,陸九芳,李以圭.鋰鹽水溶液的熱力學(xué)性質(zhì)研究[J].清華大學(xué)學(xué)報(bào)(自然科學(xué)版),1997, 37(12): 40-43.
[158] Yu, Yangxin, Gao, Guanghua, Lu, Jiufang, Li, Yigui.191.Prediction of solid-liquid equilibria for mixed electrolyte aqueous by the modified mean spherical approximation.Gao Xiao Hua Xue Gong Cheng Xue Bao/Journal of Chemical Engineering of Chinese Universities[10039015], Published 1997, Volume 11, Issue 4, Pages 343-348.于養(yǎng)信,高光華,陸九芳,李以圭.平均球近似法預(yù)測(cè)電解質(zhì)水溶液的固-液平衡[J].高�；瘜W(xué)工程學(xué)報(bào), 1997, 11(4): 343-348.
[159]Li, Yigui, Yu, Yangxin, Gao, Guanghua .Study on high pressure extraction equilibria for ternary system of tetraethylene glycol/p-xylene/n-heptane.Qinghua Daxue Xuebao/Journal of Tsinghua University[1000-0054], Published 1997, Volume 37, Issue 12, Pages 29-31.陳中,于養(yǎng)信,高光華.四甘醇-對(duì)二甲苯-正庚烷三元體系高壓萃取平衡的研究[J].清華大學(xué)學(xué)報(bào)(自然科學(xué)版),1997, 37(12): 29-31.
[160]Tan, Zh, Gao, Guanghua, Yu, Yangxin. Study on solubility of oxygen in aqueous electrolyte solutions at high pressure.Proceedings of the International Conference on Thermodynamic Analysis and Improvement of Energy Systems, TAIES'97, Published 1997, Pages 509-512
[161]Yu, Yangxin, Gao, Guanghua, Feng, Xin.Measurement and prediction of thermal conductivities of alkane binary mixtures. Petrochemical Technology[1000-8144], Published 1997, Volume 26, Issue 12, Pages 830-833.于養(yǎng)信,高光華,馮昕.烷烴二元混合物導(dǎo)熱率的測(cè)定與預(yù)測(cè)[J].石油化工, 1997, 26(12): 830-833.
[162]Yu, Yangxin, Lu, Jiufang, Li, Yigui.Determination and prediction of activity coefficients for NaCl－Na2SO4－H2Osystem at 25C.Qinghua Daxue Xuebao/Journal of Tsinghua University[1000-0054], Published 1995, Volume 35, Issue 3, Pages 59-65 于養(yǎng)信,陸九芳,李以圭.NaCl－Na2SO4－H2O體系活度系數(shù)的測(cè)定與預(yù)測(cè)[J].清華大學(xué)學(xué)報(bào)(自然科學(xué)版),1995, 35(3): 59-65.
[163]Yu, Yangxin, Lu, Jiufang, Tong, JingShan, Li, Yigui .Equation of state for hard-sphere chain molecules.Fluid Phase Equilibria[0378-3812], Published 1994, Volume 102, Issue 2, Pages 159-172 影響因子: 2.745
[164]LU, JF*; YU, YX; LI, YG.Modification and application of the mean spherical approximation method.Fluid Phase Equilibria, 1993, 85: 81-100.(SCI號(hào)：LF773； EI號(hào)：EIP93071037481) 影響因子: 2.745
[165]Yu, Yangxin, Lu, Jiufang, Tong, Jingshan, Li, Yigui. Study on the state equation for hard-sphere chain molecules. Qinghua Daxue Xuebao/Journal of Tsinghua University[1000-0054], Published 1993, Volume 33, Issue 3, Pages 23-33
[166]Shentu, Yanming, Yu, Yangxin, Li, Yigui. Study on densities and apparent molal volumes of mixed electrolyteaqueous solutions. Qinghua Daxue Xuebao/Journal of Tsinghua University[1000-0054], Published 1993, Volume 33, Issue 6, Pages 61-72
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[8]藤本晉太郎,于養(yǎng)信.Effect of electrolyte concentration on DNA A—B conformational transition:An unrestrained molecular dynamics simulation study[J].Chinese Physics B,2010,19(08):648-656.
[9]彭勃,李英峰,于養(yǎng)信.氮?dú)庠贛CM-41中毛細(xì)凝聚的模擬和理論研究[J].工程熱物理學(xué)報(bào),2009,30(12):1991-1994.
[10]彭勃,于養(yǎng)信.密度泛函理論研究高價(jià)離子在納米孔內(nèi)的結(jié)構(gòu)[J].中國(guó)科技論文在線,2009,4(12):900-904.
[11]公強(qiáng),于養(yǎng)信*.滴定法測(cè)定三聚磷酸鈉的溶解度[J].無(wú)機(jī)鹽工業(yè),2008, 40(11): 51-53.
[12]于養(yǎng)信,趙瑾,Andrew E. Bayly.洗滌劑配方中表面活性劑和助劑的研究進(jìn)展(英文)[J].Chinese Journal of Chemical Engineering,2008(04):517-527.
[13]靳琳,于養(yǎng)信.混合膠體溶液的滲透壓縮因子研究[J].中國(guó)科技論文在線,2007, 2(12): 910-915.
[14]于養(yǎng)信,付東,肖吉.硫化氫脫除以及物理場(chǎng)在該過(guò)程中的應(yīng)用前景[J].華北電力大學(xué)學(xué)報(bào)(自然科學(xué)版),2007, 34(06): 42-46.
[15]趙秀文,王運(yùn)東,于養(yǎng)信.介觀動(dòng)力學(xué)模擬嵌段聚合物:形貌與動(dòng)力學(xué)[J].清華大學(xué)學(xué)報(bào)(自然科學(xué)版),2007, 47(9): 1507-1510.
[16]付升,于養(yǎng)信,王曉琳.納濾膜對(duì)電解質(zhì)溶液分離特性的理論研究(Ⅱ):混合電解質(zhì)溶液[J].化學(xué)學(xué)報(bào),2007(10):923-929.
[17]付升,于養(yǎng)信,高光華,王曉琳.納濾膜對(duì)電解質(zhì)溶液分離特性的理論研究(I):單一電解質(zhì)溶液[J].化學(xué)學(xué)報(bào),2006(22):2241-2246.
[18]王淑梅,于養(yǎng)信,高光華.溫度對(duì)碳膜內(nèi)氮、氧滲透分離影響的非平衡模擬[J].化學(xué)學(xué)報(bào),2006, 64(11): 1111-1115.
[19]王淑梅,于養(yǎng)信,高光華.Non-equilibrium Molecular Dynamics Simulation on Pure Gas Permeability Through Carbon Membranes[J].Chinese Journal of Chemical Engineering,2006(02):164-170.
[20]何向明,趙方輝,蔡硯,于養(yǎng)信.機(jī)械化學(xué)法合成二氧化鋯基納米超細(xì)粉[J].云南大學(xué)學(xué)報(bào)(自然科學(xué)版),2005, 27(3A): 70-73.
[21]張陽(yáng),楊基礎(chǔ),于養(yǎng)信,李以圭.分子模擬在超臨界流體領(lǐng)域中的應(yīng)用[J].化學(xué)進(jìn)展,2005(06):9-16.
[22]王淑梅,高光華,于養(yǎng)信,王曉琳.氮?dú)夂脱鯕庠谀け砻婧酮M縫孔內(nèi)平衡吸附的分子模擬[J].高等學(xué)校化學(xué)學(xué)報(bào),2005，26(11):145-148+8.
[23]史紅兵,于養(yǎng)信,高光華.電解質(zhì)水溶液傳遞性質(zhì)的布朗動(dòng)力學(xué)模擬研究[J].化學(xué)學(xué)報(bào),2005，63(05):358-362+337.
[24]于養(yǎng)信,吳建中,尤峰崎,高光華. A Self-Consistent Theory for the Inter-and Intramolecuiar Correlation Functions of a Hard-Sphere-Yukawa-Chain Fluids[J]. 中國(guó)物理快報(bào)：英文版,2005,22(1).
[25]史紅兵,于養(yǎng)信,高光華.電解質(zhì)溶液自擴(kuò)散系數(shù)的布朗動(dòng)力學(xué)模擬[J].高等學(xué)校化學(xué)學(xué)報(bào),2004, 25(12): 2317-2321.
[26]于養(yǎng)信,吳建中,高光華.Ionic Distribution, Electrostatic Potential and Zeta Potential at Electrochemical Interfaces[J].Chinese Journal of Chemical Engineering,2004(05):96-103.
[27]佟慶遠(yuǎn),高光華,于養(yǎng)信.應(yīng)用鏈?zhǔn)接睬蚰Ｐ陀?jì)算流體的自擴(kuò)散系數(shù)[J].工程熱物理學(xué)報(bào),2002, 23(6): 675-677.
[28]佟慶遠(yuǎn),高光華,于養(yǎng)信.締合型鏈?zhǔn)接睬蜃詳U(kuò)散系數(shù)方程[J].高�；瘜W(xué)工程學(xué)報(bào),2002, 16(4): 361-365.
[29]顧沖,高光華,于養(yǎng)信,毛宗強(qiáng).單壁碳納米管吸附氫氣的計(jì)算機(jī)模擬[J].高等學(xué)校化學(xué)學(xué)報(bào),2001, 22(6): 958-961.
[30]于養(yǎng)信,高光華.締合流體在高溫高壓下的自擴(kuò)散系數(shù)研究[J].工程熱物理學(xué)報(bào),2001, 22(4): 405-407.
[31]王平,于養(yǎng)信.石油烴類體系固液平衡熱力學(xué)模型的建立[J].石化技術(shù),2000, 7(4): 210-213.
[32]劉建剛,于養(yǎng)信,高光華.四甘醇-水、四甘醇-間二甲苯體系常壓汽液平衡數(shù)據(jù)的測(cè)定和關(guān)聯(lián)[J].石油化工,2000, 29(3): 191-194.
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[34]于養(yǎng)信,高光華.鏈狀方阱流體的狀態(tài)方程研究[J].清華大學(xué)學(xué)報(bào)(自然科學(xué)版),1999, 39(1): 118-121.
[35]童景山,于養(yǎng)信.用分子聚集理論計(jì)算醇-烴體系的混合熱[J].天然氣化工,1997, 22(5): 48-52.
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[38]陳中,于養(yǎng)信,高光華.四甘醇-對(duì)二甲苯-正庚烷三元體系高壓萃取平衡的研究.清華大學(xué)學(xué)報(bào)(自然科學(xué)版)[1000-0054], Published 1997, Issue 12, Pages 31-33
[39]于養(yǎng)信,陸九芳,李以圭.鋰鹽水溶液的熱力學(xué)性質(zhì)研究.清華大學(xué)學(xué)報(bào)(自然科學(xué)版)[1000-0054], Published 1997, Issue 12, Pages 42-45
[40]于養(yǎng)信,高光華,馮昕.烷烴二元混合物導(dǎo)熱率的測(cè)定與預(yù)測(cè).石油化工[1000-8144], Published 1997, Issue 12, Pages 38-41
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[42]劉潔,姚燕,宋彭生,李以圭,李繼定,于養(yǎng)信.LiCl─MgSO4─H2O體系多溫下密度和體積性質(zhì)研究[J].化學(xué)世界,1996(S1):34.
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發(fā)表會(huì)議論文：
[1]Xin Wang; Yang-Xin Yu*; Ya-Na Zhang. Simulation on removal of SO2 by pillar[5]arenes using a forcefield derived from ab initio DFT.24th IUPAC International Conference on Chemical Thermodynamics, China,Guangxi Zhuang Autonomous Region,Guilin, 2016-08-21 to 2016-08-26.
[2]Xin Wang; Yang-Xin Yu*.Computational study of greenhouse gases adsortpion and separation in pillar[5]arene-based supramolecular organic frameworks. 9th international conference on computational nanoscience and new energy materials(CNNEM-2016), China,Shanghai, 2016-06-22 to 2016-06-26.
[3]Xin, Yan; Yu, Yang-Xin*.Adsorption and Mobility of Lithium on Pristine and Stone-Thrower-Wales Defective Silicenes.1st International Conference on Materials Chemistry and Environmental Protection (MEEP), 2015 to 2015-12-21.
[4]Yan Xin; Yang-Xin Yu*.Adsorption and mobility of lithium on pristine and Stone-Thrower-Wales Defective Silicenes. The International Conference on Materials Chemistry and Environmental Protection (MEEP2015), China,Hainan,Sanya, 2015-12-19 to 2015-12-21.
[5]辛燕,王欣,于養(yǎng)信*. 膠體電泳遷移理論及其應(yīng)用[C] .2015年中國(guó)化工學(xué)會(huì)年會(huì)論文集. 2015:2301. 2015中國(guó)化工學(xué)會(huì)年會(huì), 中國(guó),北京市, 2015-10-16至2015-10-18.
[6]Yang-Xin Yu*; Xin Wang.Densityfunctional theory study on the electrophoresis separation of charged particles.. The 8th Sino-US Joint Conference of Chemical Engineering, China,Shanghai, 2015-10-12 to 2015-10-16.
[7]Yan Xin; Lan Xiang; Yang-Xin Yu*. One-dimensional properties of calcium sulfate hemihydrate: a computer simulation study. The 4th International Symposium on Aqua Science and Water Resource (ISASWR2014), China, 2014-08-14 to 2014-08-16.
[8]Reza Gholizadeh; 于養(yǎng)信*.選擇性催化還原脫硝中各物質(zhì)熱力學(xué)性質(zhì)的預(yù)測(cè).2013工程熱物理學(xué)會(huì)工程熱力學(xué)與能源利用會(huì)議, 中國(guó),內(nèi)蒙古自治區(qū),呼和浩特市, 2013-09-25至2013-09-27.
[9]于養(yǎng)信*.二氧化鈰固體的力學(xué)和熱物理性質(zhì)研究.2011中國(guó)工程熱物理學(xué)會(huì)工程熱力學(xué)與能源利用學(xué)術(shù)會(huì)議, 中國(guó),湖北省,武漢市, 2011-11-04至2011-11-07.
[10]Yang-Xin Yu*.Adsiorption, solid-fluid interfacial tension, and wetting transitions of fluids on solid surfaces: A density functional theory study.Proceedings of Twelfth International Conference on Properties and Phase Equilibria for Product and Process Design PPEPPD 2010, China, 2010-05-16 to 2010-05-21.
[11]Li Ying-Feng; Yu Yang-Xin*; Zheng Yuan-Xiang.Shift of the azeatropic point of binary Lennard-Jones mixture confined in a slit-like pore(Keynote).The 5th Sino-US joint Conference of Chemical Engineering, China,Beijing, 2009-10-13 to 2009-10-16.
[12]張旭光; 于養(yǎng)信. 由剩余熵預(yù)測(cè)流體的粘度性質(zhì).中國(guó)工程熱物理學(xué)會(huì)工程熱力學(xué)與能源利用學(xué)術(shù)會(huì)議, 中國(guó),遼寧省,大連市, 2009-10至2009-10.
[13]Yang-Xin Yu*; Shintaro Fujimoto; Yuan-Xiang Zheng; Ying-Feng Li; Bo Peng.Molecular dynamics study on the A-B configuration transition of DNA in electrolyte solutions.The 5th Joint China/Japan Chemical Engineering Symposium, China, 2009-07-21 to 2009-07-24.
[14]彭勃; 李英峰; 于養(yǎng)信.氮?dú)庠?MCM-41 分子篩中毛細(xì)冷凝的 GCMC 模擬和密度泛函計(jì)算.中國(guó)工程熱物理學(xué)會(huì)工程熱力學(xué)與能源利用學(xué)術(shù)會(huì)議, 中國(guó),天津市, 2008-11至2008-11.
[15]李英峰; 于養(yǎng)信; 彭勃. CO2 在石孔隙中吸附的 GCMC 研究.第五屆全國(guó)化學(xué)工程與生物化工年會(huì), 中國(guó),陜西省,西安市, 2008-10至2008-10.
[16]彭勃; 李英峰; 于養(yǎng)信. 甲烷在石墨孔道內(nèi)吸附和相平衡的密度泛函計(jì)算.第五屆全國(guó)化學(xué)工程與生物化工年會(huì), 中國(guó), 2008-10至2008-10.
[17]于養(yǎng)信.密度泛函理論及在化工體系平衡性質(zhì)計(jì)算過(guò)程的應(yīng)用.第五屆全國(guó)化學(xué)工程與生物化工年會(huì)論文, 中國(guó), 2008-10至2008-10.
[18]Yu Yang-Xin*; Shintaro Fujimoto.Molecular Dynamics Simulation on the Structural and Thermodynamic Properties of DNA-Electrolyte Solutions.The International Conference on the Theory and Applications of Computational Chemistry in 2008 (TACC2008), China, 2008-09-23 to 2008-09-27
[19]彭勃; 付升; 于養(yǎng)信; 高光華.雙電層及其在膜分離中的應(yīng)用.the 5th International Conference on Separation Science and Technology (ICSST’2007), 中國(guó),北京市, 2007-10-14至2007-10-16.
[20]Yu, Yang-Xin; Wang, Ke; Gao, Guang-Hua. Density functional study on the osmotic coefficient for the DNA-electrolyte solutions.16th Symposium on Thermophysical Properties/19th International Conference on Chemical Thermodynamics/61st Calorimetry Conference, 2006-07-30 to 2006-08-04.
[21]周穎,田愛(ài)偉,高光華,于養(yǎng)信. 含硫天然氣油藏流體的高壓相行為研究[C] .2006年全國(guó)冶金物理化學(xué)學(xué)術(shù)會(huì)議論文集.,2006:26-29.
[22]于養(yǎng)信,王淑梅,高光華. 密度泛函理論在帶電半透膜性質(zhì)研究中的應(yīng)用[C] .第一屆全國(guó)化學(xué)工程與生物化工年會(huì)論文摘要集(上). 2004:129.
[23]尚偉娟,王曉琳,于養(yǎng)信. 微孔中非均勻流體的密度及電勢(shì)分布的理論和模擬[C] .第一屆全國(guó)化學(xué)工程與生物化工年會(huì)論文摘要集(上). 2004:111.
[24]王淑梅,于養(yǎng)信,高光華. 氣體在碳膜狹縫孔內(nèi)平衡吸附的分子模擬[C] .第一屆全國(guó)化學(xué)工程與生物化工年會(huì)論文摘要集(上). 2004:120.
[25]顧沖,高光華,于養(yǎng)信. 氫氣在碳納米管內(nèi)吸附的密度泛函理論研究[C] .2004年全國(guó)冶金物理化學(xué)學(xué)術(shù)會(huì)議專輯.,2004:107-110.
[26]顧沖,高光華,于養(yǎng)信,毛宗強(qiáng). 氫氣在單壁碳納米管中及附的計(jì)算機(jī)模擬[C] .中國(guó)太陽(yáng)能學(xué)會(huì)2001年學(xué)術(shù)會(huì)議論文摘要集. 2001:261.
[27]顧沖,高光華,于養(yǎng)信,毛宗強(qiáng). 氫氣在單壁碳納米管中吸附的計(jì)算機(jī)模擬[C] .第三屆全國(guó)氫能學(xué)術(shù)會(huì)議論文集. 2001:196-206.
[28]Gu Chong; Yu Yang-Xin; Gao Guang-Hua.Monte Carlo simulation of hydrogen adsorption in single-walled carbon nanotubes. Proceedings of 13th Word Hydrogen Energy Conference, China,Beijing, 2000-06-11 to 2000-06-15.
[29]Lu Jiu-Fang; Yu Yang-Xin; Li Yi-Gui.Modification of mean spherical approximation method and its application in electrolyte solutions.Proceedings of the Second International Conference on Hydrometallurgy, China,Hunan,Changsha, 1992-10-23 to 1992-10-26.
于養(yǎng)信，男，1966年03月24日生，清華大學(xué)化學(xué)工程系教授、博士生導(dǎo)師。
科學(xué)研究：
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