Citation: De Lu ZHAO, Xue Dong ZHOU, Yun HUANG. SIMULATION OF THE THERMODYNAMIC QUANTITIES OF SELF-AVOIDING WALK CHAIN[J]. Chinese Chemical Letters, ;1996, 7(1): 63-66. shu

SIMULATION OF THE THERMODYNAMIC QUANTITIES OF SELF-AVOIDING WALK CHAIN

1.
institute of Chemistry Academia Sinica, Beijing, 100080;
2.
Physics Department, Peking University y Beijing, 100871

Received Date: 8 June 1995

Fund Project: This work was supported by the National Key Project for Fundamental Research "Macromolecular Condensed State", The State Science and Technology Commission of China and the Basic Research Foudation of the Chinese Academy.

A Monte Carlo method has been proposed for direct simulating the thermodynamic quantities of a single self-avoiding walk chain with the neighbour interaction on a simple cubic lattice.The simulation data of me conformational entropy of me chain length 16 have been found to be consistent very well with the exact results obtained by the direct counting method.
1. [1]
  Tao Yu , Vadim A. Soloshonok , Zhekai Xiao , Hong Liu , Jiang Wang . Probing the dynamic thermodynamic resolution and biological activity of Cu(Ⅱ) and Pd(Ⅱ) complexes with Schiff base ligand derived from proline. Chinese Chemical Letters, 2024, 35(4): 108901-. doi: 10.1016/j.cclet.2023.108901
2. [2]
  Sha-Sha Meng , Xiao-Yi Fu , Hai-Yue Wei , Ming Xu , Zhi-Yuan Gu . Improving the separation ability of MOF-based stationary phases by increasing the thermodynamic differentiation of analytes. Chinese Chemical Letters, 2025, 36(9): 110720-. doi: 10.1016/j.cclet.2024.110720
3. [3]
  Huimin Gao , Zhuochen Yu , Xuze Zhang , Xiangkun Yu , Jiyuan Xing , Youliang Zhu , Hu-Jun Qian , Zhong-Yuan Lu . A mini review of the recent progress in coarse-grained simulation of polymer systems. Chinese Journal of Structural Chemistry, 2024, 43(5): 100266-100266. doi: 10.1016/j.cjsc.2024.100266
4. [4]
  Haozhi Lei , Qian Xia , Xiqiu Wang , Yang Sun , Weihong Tan . Simulation of immune signal transduction through DNA strand displacement. Chinese Chemical Letters, 2025, 36(12): 110941-. doi: 10.1016/j.cclet.2025.110941
5. [5]
  Qihang Wu , Hui Wen , Wenhai Lin , Tingting Sun , Zhigang Xie . Alkyl chain engineering of boron dipyrromethenes for efficient photodynamic antibacterial treatment. Chinese Chemical Letters, 2024, 35(12): 109692-. doi: 10.1016/j.cclet.2024.109692
6. [6]
  Huiju Cao , Lei Shi . sp¹-Hybridized linear and cyclic carbon chain. Chinese Chemical Letters, 2025, 36(4): 110466-. doi: 10.1016/j.cclet.2024.110466
7. [7]
  Juan Chen , Jin-Ni Zhao , Guo-Yu Yang . Four zinc borates: From acentric chain to centric porous layer. Chinese Journal of Structural Chemistry, 2026, 45(2): 100788-100788. doi: 10.1016/j.cjsc.2025.100788
8. [8]
  Xiafeng Yang , Wushan Sun , Chen Li , Wei Bai , Qingyin Wang , Gongying Wang . Synthesis of novel isosorbide-based polycarbonates by melt chain extension method. Chinese Chemical Letters, 2026, 37(4): 111674-. doi: 10.1016/j.cclet.2025.111674
9. [9]
  Bo-Ran Chang , Lin Deng , Qing-Lian Wu , Wan-Qian Guo , Hui-Ying Xue . A review: Carbon-based materials as effective additives in anaerobic fermentation, focusing on microbial chain elongation and medium chain fatty acids production. Chinese Chemical Letters, 2025, 36(7): 110411-. doi: 10.1016/j.cclet.2024.110411
10. [10]
  Shiyu Hou , Maolin Sun , Liming Cao , Chaoming Liang , Jiaxin Yang , Xinggui Zhou , Jinxing Ye , Ruihua Cheng . Computational fluid dynamics simulation and experimental study on mixing performance of a three-dimensional circular cyclone-type microreactor. Chinese Chemical Letters, 2024, 35(4): 108761-. doi: 10.1016/j.cclet.2023.108761
11. [11]
  Sanmei Wang , Yong Zhou , Hengxin Fang , Chunyang Nie , Chang Q Sun , Biao Wang . Constant-potential simulation of electrocatalytic N₂ reduction over atomic metal-N-graphene catalysts. Chinese Chemical Letters, 2025, 36(3): 110476-. doi: 10.1016/j.cclet.2024.110476
12. [12]
  Jinqi Yang , Xiaoxiang Hu , Yuanyuan Zhang , Lingyu Zhao , Chunlin Yue , Yuan Cao , Yangyang Zhang , Zhenwen Zhao . Direct observation of natural products bound to protein based on UHPLC-ESI-MS combined with molecular dynamics simulation. Chinese Chemical Letters, 2025, 36(5): 110128-. doi: 10.1016/j.cclet.2024.110128
13. [13]
  Gaowa Xing , Yuxuan Li , Hongren Yao , Qiang Zhang , Zengnan Wu , Caihou Lin , Jin-Ming Lin . Tryptophan accumulation and inflammation of glioblastoma cells in a multicomponent microchip for gut-brain-axis simulation. Chinese Chemical Letters, 2025, 36(12): 111035-. doi: 10.1016/j.cclet.2025.111035
14. [14]
  Zi-Jian Zhou , Xin-Ping Wu . Level-shifted embedded cluster method may offer a viable alternative for the simulation of metal oxides. Chinese Journal of Structural Chemistry, 2025, 44(5): 100471-100471. doi: 10.1016/j.cjsc.2024.100471
15. [15]
  Shiyang Sun , Ning Yang , Yaqiu Mao , Ting Wei , Pengli Wei , Tingting Yang , Yixin Zhang , Jian Yan , Changkai Jia , Yi Li , Xu Cai , Zhiyuan Zhao , Xuesong Feng , Xiaomei Zhuang , Wenpeng Zhang , Junhai Xiao , Pengyun Li , Zhibing Zheng , Song Li . Rational design of VHL-recruiting KRAS^G12C proteolysis-targeting chimeras based on molecular dynamics simulation. Chinese Chemical Letters, 2026, 37(2): 110992-. doi: 10.1016/j.cclet.2025.110992
16. [16]
  Yifei Zhang , Yuncong Xue , Laiwei Gao , Rui Liao , Feng Wang , Fei Wang . Merging non-covalent and covalent crosslinking: En route to single chain nanoparticles. Chinese Chemical Letters, 2024, 35(6): 109217-. doi: 10.1016/j.cclet.2023.109217
17. [17]
  Haoran Shi , Jiaxin Wang , Yuqin Zhu , Hongyang Li , Guodong Ju , Lanlan Zhang , Chao Wang . Highly selective α-C(sp³)-H arylation of alkenyl amides via nickel chain-walking catalysis. Chinese Chemical Letters, 2024, 35(7): 109333-. doi: 10.1016/j.cclet.2023.109333
18. [18]
  Yao HUANG , Yingshu WU , Zhichun BAO , Yue HUANG , Shangfeng TANG , Ruixue LIU , Yancheng LIU , Hong LIANG . Copper complexes of anthrahydrazone bearing pyridyl side chain: Synthesis, crystal structure, anticancer activity, and DNA binding. Chinese Journal of Inorganic Chemistry, 2025, 41(1): 213-224. doi: 10.11862/CJIC.20240359
19. [19]
  Ying Chen , Lun Li , Guohao Han , Ren Liu , Guanghui An , Yi Zhu . Macromolecular coumarin sulfonium salt with side chain effect constructed by copolymerization strategy for free radical, cationic, and hybrid photopolymerizations. Chinese Chemical Letters, 2025, 36(7): 110458-. doi: 10.1016/j.cclet.2024.110458
20. [20]
  Wanting CHEN , Chufei MIAO , Yan LIU , Bobi ZHENG , Xiaoyu ZHENG , Han XU , Jumei TIAN . Syntheses, characterization, and luminescence properties of Yb(Ⅲ)-based one-dimensional chain coordination polymer. Chinese Journal of Inorganic Chemistry, 2025, 41(8): 1672-1680. doi: 10.11862/CJIC.20250013

Get Citation

PDF

XML

Metrics

PDF Downloads(0)
Abstract views(1364)
HTML views(21)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return