Microcanonical analysis of adsorption of homopolymer chain on a surface

被引:15
作者
Chen, Tao [1 ]
Wang, Lei [1 ]
Lin, Xiangsong [1 ]
Liu, Yuan [1 ]
Liang, Haojun [1 ]
机构
[1] Univ Sci & Technol China, CAS Key Lab Soft Matter Chem, Hefei Natl Lab Phys Sci Microscale, Dept Polymer Sci & Engn, Hefei 230026, Anhui, Peoples R China
基金
中国国家自然科学基金;
关键词
adsorption; entropy; Monte Carlo methods; phase transformations; polymers; specific heat; DYNAMIC PROPERTIES; POLYMERS; SIMULATIONS; COEXISTENCE; COPOLYMERS; TRANSITION; DIFFUSION; SYSTEMS; CLUSTER; MODEL;
D O I
10.1063/1.3157255
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
The adsorption process of a homopolymer chain nongrafted on an attractive surface is numerically investigated using replica-exchange multicanonical Monte Carlo simulation. Based on the microcanonical analysis, the microcanonical entropy in the adsorption transition shows convex features. Correspondingly, with the coexistence of two phases, negative specific heat is also observed in the region, implying first-orderlike transition. The origin of the negative specific heat is due to the nonextensitivity of the energy in the system. This adsorption process has some similarities to the nucleation and growth mechanism in the crystalline process. Further study reveals that the transition type, either first- or second-orderlike, during chain adsorption is strongly dependent on the chain length, interactions among segments, whether chain grafted on the surface, and force upon segments imposed by surface.
引用
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页数:6
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共 49 条
[31]  
2-F
[32]   Bimodality: a possible signature of the liquid-gas phase transition of nuclear matter [J].
Pichon, M ;
Tamain, B ;
Bougault, R ;
Lopez, O .
NUCLEAR PHYSICS A, 2005, 749 :93C-97C
[33]   Patterned colloid assembly by grafted photochromic polymer layers [J].
Piech, M ;
George, MC ;
Bell, NS ;
Braun, PV .
LANGMUIR, 2006, 22 (04) :1379-1382
[34]   Negative heat capacity for a cluster of 147 sodium atoms [J].
Schmidt, M ;
Kusche, R ;
Hippler, T ;
Donges, J ;
Kronmüller, W ;
von Issendorff, B ;
Haberland, H .
PHYSICAL REVIEW LETTERS, 2001, 86 (07) :1191-1194
[35]   Curvature effect on surface diffusion: The nanotube [J].
Shu, DJ ;
Gong, XG .
JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (24) :10922-10926
[36]   Copolymers in asymmetric interface potentials: A Monte Carlo study [J].
Sommer, JU ;
Peng, GW ;
Blumen, A .
JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (18) :8376-8384
[37]   Adsorption of branched homopolymers on a solid surface [J].
Striolo, A ;
Prausnitz, JM .
JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (19) :8565-8572
[38]   Adsorption of comb copolymers on weakly attractive solid surfaces [J].
Striolo, A ;
Jayaraman, A ;
Genzer, J ;
Hall, CK .
JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (06)
[39]   Analogy in the adsorption of random copolymers and homopolymers at solid-liquid interface: A Monte Carlo simulation study [J].
Sun, Lei ;
Peng, Changjun ;
Liu, Honglai ;
Hu, Ying ;
Jiang, Jianwen .
JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (09)
[40]   SYSTEMS WITH NEGATIVE SPECIFIC HEAT [J].
THIRRING, W .
ZEITSCHRIFT FUR PHYSIK, 1970, 235 (04) :339-&