The conformations of alkyl chains in fluids. A maximum entropy approach

被引:16
作者
Berardi, R
Spinozzi, F
Zannoni, C
机构
[1] Dipto. di Chim. Fisica ed Inorganica, Università, 40136 Bologna, Viale Risorgimento
关键词
D O I
10.1016/0009-2614(96)00924-4
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We present a maximum entropy internal order method for analyzing chain conformations in liquid crystalline solutions. We show how prior knowledge of the conformational distribution can be taken into account and apply the method to the determination of the conformation of n-alkanes in liquid crystals without invoking molecular field or other approximate theoretical models.
引用
收藏
页码:633 / 638
页数:6
相关论文
共 28 条
[1]   ALGORITHM FOR FINDING THE DISTRIBUTION OF MAXIMAL ENTROPY [J].
AGMON, N ;
ALHASSID, Y ;
LEVINE, RD .
JOURNAL OF COMPUTATIONAL PHYSICS, 1979, 30 (02) :250-258
[2]  
[Anonymous], 1985, NUCL MAGNETIC RESONA, DOI DOI 10.1007/978-94-009-6517-1_15
[3]   THE ROTATIONAL-CONFORMATIONAL DISTRIBUTION OF 2,2'-BITHIENYL IN LIQUID-CRYSTALS [J].
BERARDI, R ;
SPINOZZI, F ;
ZANNONI, C .
LIQUID CRYSTALS, 1994, 16 (03) :381-397
[4]   MAXIMUM-ENTROPY INTERNAL ORDER APPROACH TO THE STUDY OF INTRAMOLECULAR ROTATIONS IN LIQUID-CRYSTALS [J].
BERARDI, R ;
SPINOZZI, F ;
ZANNONI, C .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1992, 88 (13) :1863-1873
[5]   A MAXIMUM-ENTROPY ANALYSIS OF THE PROBLEM OF THE ROTAMERIC DISTRIBUTION FOR SUBSTITUTED BIPHENYLS STUDIED BY H-1 NUCLEAR-MAGNETIC-RESONANCE SPECTROSCOPY IN NEMATIC LIQUID-CRYSTALS [J].
CATALANO, D ;
DIBARI, L ;
VERACINI, CA ;
SHILSTONE, GN ;
ZANNONI, C .
JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (05) :3928-3935
[6]  
DIBARI L, 1987, CHEM PHYS LETT, V143, P263
[7]   A THEORY OF ORIENTATIONAL ORDERING IN UNIAXIAL LIQUID-CRYSTALS COMPOSED OF MOLECULES WITH ALKYL CHAINS [J].
EMSLEY, JW ;
LUCKHURST, GR ;
STOCKLEY, CP .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1982, 381 (1780) :117-138
[8]   THE EFFECT OF INTERNAL MOTION ON THE ORIENTATIONAL ORDER PARAMETERS FOR LIQUID-CRYSTALLINE SYSTEMS [J].
EMSLEY, JW ;
LUCKHURST, GR .
MOLECULAR PHYSICS, 1980, 41 (01) :19-29
[9]  
Emsley JW., 1985, NUCL MAGNETIC RESONA
[10]   A SHAPE MODEL FOR MOLECULAR ORDERING IN NEMATICS [J].
FERRARINI, A ;
MORO, GJ ;
NORDIO, PL ;
LUCKHURST, GR .
MOLECULAR PHYSICS, 1992, 77 (01) :1-15