The development of computational chemistry approach to predict the viscosity of lubricants

被引：17

作者：

Konno, K ^{[1
]}

Kamei, D ^{[1
]}

Yokosuka, T ^{[1
]}

Takami, S ^{[1
]}

Kubo, M ^{[1
]}

Miyamoto, A ^{[1
]}

机构：

[1] Tohoku Univ, Grad Sch Engn, Dept Chem Mat, Sendai, Miyagi 9808579, Japan

来源：

TRIBOLOGY INTERNATIONAL | 2003年 / 36卷 / 4-6期

关键词：

computational chemistry; viscosity; prediction;

D O I：

10.1016/S0301-679X(02)00234-7

中图分类号：

TH [机械、仪表工业];

学科分类号：

0802 ;

摘要：

Sophisticated machinery requires the development of new lubricants that realize friction-less contact, perfect transmittance of torque, and so on. However, experimental approaches have needed long time to find new lubricants. Therefore, the prediction of lubricant properties by computational chemistry should be crucial to accelerate the design of lubricants. This study treats precise evaluation of viscosity employing molecular dynamics simulation and prediction based on neural network. (C) 2003 Elsevier Science Ltd. All rights reserved.

引用

页码：455 / 458

页数：4

共 23 条

[1]

*CHEM SOC JAP, 1991, KAG BINR KIS

[2] Structural transition and solid-like behavior of alkane films confined in nano-spacing [J].

Cui, ST ;

Cummings, PT ;

Cochran, HD .

FLUID PHASE EQUILIBRIA, 2001, 183 :381-387

[3] Effect of branches on the structure of narrowly confined alkane fluids: n-hexadecane and 2,6,11,15-tetramethylhexadecane [J].

Cui, ST ;

Cummings, PT ;

Cochran, HD .

JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (14) :6464-6471

[4] Molecular simulation of the transition from liquidlike to solidlike behavior in complex fluids confined to nanoscale gaps [J].

Cui, ST ;

Cummings, PT ;

Cochran, HD .

JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (16) :7189-7195

[5] STRUCTURE AND ENERGETICS OF LIGAND-BINDING TO PROTEINS - ESCHERICHIA-COLI DIHYDROFOLATE REDUCTASE TRIMETHOPRIM, A DRUG-RECEPTOR SYSTEM [J].

DAUBEROSGUTHORPE, P ;

ROBERTS, VA ;

OSGUTHORPE, DJ ;

WOLFF, J ;

GENEST, M ;

HAGLER, AT .

PROTEINS-STRUCTURE FUNCTION AND GENETICS, 1988, 4 (01) :31-47

[6] The effect of branching on the structure of confined thin films of alkanes [J].

Dijkstra, M .

EUROPHYSICS LETTERS, 1997, 37 (04) :281-286

[7] Layering transitions and dynamics of confined liquid films [J].

Gao, JP ;

Luedtke, WD ;

Landman, U .

PHYSICAL REVIEW LETTERS, 1997, 79 (04) :705-708

[8] Structure and solvation forces in confined films: Linear and branched alkanes [J].

Gao, JP ;

Luedtke, WD ;

Landman, U .

JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (10) :4309-4318

[9] Origins of solvation forces in confined films [J].

Gao, JP ;

Luedtke, WD ;

Landman, U .

JOURNAL OF PHYSICAL CHEMISTRY B, 1997, 101 (20) :4013-4023

[10] LIQUID TO SOLID-LIKE TRANSITIONS OF MOLECULARLY THIN-FILMS UNDER SHEAR [J].

GEE, ML ;

MCGUIGGAN, PM ;

ISRAELACHVILI, JN ;

HOMOLA, AM .

JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (03) :1895-1906

← 1 2 3 →