ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2007,Vol.23>> Issue(05)>> 651-654     doi: 10.3866/PKU.WHXB20070506         中文摘要
Thermodynamics of Water Adsorbed on Palladium Surface
SUN Xi-Yuan; KONG Fan-Jie; JIANG Gang; ZHU Zheng-He
Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, P. R. China
Full text: PDF (199KB) Export: BibTeX | EndNote (RIS)
The different structures of PdOH2, PdOH, and PdO were optimized by the relativistic effective core potential (RECP) and the density functional method B3LYP. The results showed that Pd and H2O of stable Pd-OH2 molecule were not in the same plane, and the bond length (RPdO) was 0.2283 nm. For PdOH molecule, the ground state was 2A', the structure parameters RPdO, ROH, and ∠PdOH were 0.1965 nm, 0.0968 nm, and 110.186°, respectively; The
ground state of PdO was 3Π, and the bond length was 0.1858 nm. Furthermore, the thermodynamic functions of PdOH2, PdOH, and PdO were also calculated according to electronic-vibration approximation, and based on this results, the relationship of the equilibrium pressures with temperatures was obtained. From the results, it was deduced that the poisoning effect of H2O was due to the adsorption of O and OH dissociated from H2O on palladium surface.

Keywords: PdOH2   PdOH   PdO   Thermodynamic function   Dissociative adsorption   Poisoning  
Received: 2006-10-27 Accepted: 2006-12-21 Publication Date (Web): 2007-04-11
Corresponding Authors: JIANG Gang Email:

Cite this article: SUN Xi-Yuan; KONG Fan-Jie; JIANG Gang; ZHU Zheng-He. Thermodynamics of Water Adsorbed on Palladium Surface[J]. Acta Phys. -Chim. Sin., 2007,23 (05): 651-654.    doi: 10.3866/PKU.WHXB20070506
1. ZHANG Xiao-Ye, XUE Bin, CHENG Ze, TAN Zhi-Cheng, SHI Quan.Low Temperature Heat Capacities of Uracil and 5-Bromouracil[J]. Acta Phys. -Chim. Sin., 2015,31(3): 412-418
2. GAO Xiao-Han, XU Pei, DUAN Wen-Chao, LÜ Xue-Chuan, TAN Zhi-Cheng, LU Qiang.Low-Temperature Heat Capacity and Thermodynamic Functions of Ho(NO3)3(C2H5O2N)4·H2O[J]. Acta Phys. -Chim. Sin., 2013,29(10): 2123-2128
3. LIU Bei-Ping, TAN Zhi-Cheng.Thermodynamic Properties of Nd(Gly)2Cl3·3H2O and Pr(Ala)3Cl3·3H2O[J]. Acta Phys. -Chim. Sin., 2013,29(01): 17-22
4. LV Xue-Chuan, TAN Zhi-Cheng, GAO Xiao-Han.Synthesis and Thermochemical Properties of New Ternary Lanthanum Complex La(Glu)(Im)6(ClO4)3·4HClO4·4H2O[J]. Acta Phys. -Chim. Sin., 2009,25(10): 1945-1950
5. WEI Xian-Jun, LI Hui-Zhen, LI Jing, ZHOU Neng, TANG Hong-Wei.Vis-Spectrum Investigation of Thermo-Solvatochromic Behaviors of a Mixed Diamine and β-Diketonate Ligand Ni(II) Complex in Different Alcoholic Solutions[J]. Acta Phys. -Chim. Sin., 2009,25(07): 1449-1454
6. FAN You-Jun, ZHEN Chun-Hua, CHEN Sheng-Pei, SUN Shi-Gang.Effect of Specific Adsorption of Anions and Surface Structure of Pt(111) Electrode on Kinetics of Dissociative Adsorption of Ethylene Glycol[J]. Acta Phys. -Chim. Sin., 2009,25(05): 999-1003
7. XIAO Xiao-Yan, LU Ji-Qing, SU Xiao-Wen, GUO Ming, LUO Meng-Fei.PdO-CeO2 Composite Catalysts for Low Temperature CO Oxidation[J]. Acta Phys. -Chim. Sin., 2009,25(03): 561-566
8. ZHANG Jing-Nan; TAN Zhi-Cheng; LIU Bei-Ping; SHI Quan; TONG Bo.Low-Temperature Heat Capacities and Thermochemistry Properties of Sm(Val)Cl3·6H2O[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1378-1382
9. WU Jin;DU Lin;Li Gui-Ying;LIANG Bin-Yong;QIN Song;HU Chang-Wei .Study on the Photoelectrochemical degradation of Reactive Brilliant Red K-2BP on RuOx-PdO/Ti electrode[J]. Acta Phys. -Chim. Sin., 2007,23(02): 268-273
10. YUE Dan-Ting;TAN Zhi-Cheng;LI Yan-Sheng .Low-Temperature Heat Capacity and Thermodynamic Functions of Nano Fe[J]. Acta Phys. -Chim. Sin., 2006,22(11): 1427-1430
11. WU Shu-Ying;YANG Li-Xin;SONG Chun-Xia;WANG Wen-Bo .Simulating Calculation of the Dissociation-Association Equilibrium of Dimer and Monomer of Trimethylaluminum in Gas Phase[J]. Acta Phys. -Chim. Sin., 2006,22(11): 1393-1398
12. ZHU Yu;JIANG Gang;YU Gui-Feng;ZHU Zheng-He;WANG He-Yi;FU Yi-Bei.Adsorption Behavior of N2 on Pd Surface[J]. Acta Phys. -Chim. Sin., 2005,21(12): 1343-1346
13. ZHOU Xiao-shun; XU Xiaomi; ZHONG Hui-ping; LONG La-sheng; HUANG Rong-bin; XIE Zhao-xiong; ZHENG Lan-sun; MAO Bing-wei.Adsorption of Metal-Organic Complex Molecule on Au(111) Surface[J]. Acta Phys. -Chim. Sin., 2005,21(09): 949-951
14. WANG Mei-Han; TAN Zhi-Cheng; SUN Xiao-Hong; SUN Li-Xian; LIU Yuan-Fa; ZHANG Tao.Thermodynamic Studies of 4-pyridinemethanol[J]. Acta Phys. -Chim. Sin., 2005,21(05): 573-576
15. YUE Dan-Ting; TAN Zhi-Cheng; DONG Li-Na; SUN Li-Xian; ZHANG Tao.Low-temperature Heat Capacity and Thermodynamic Functions of Nano ZnO[J]. Acta Phys. -Chim. Sin., 2005,21(04): 446-449
16. Zhong Qi-Ling;Zhang Bin;Zhang Lei;Yang Xiong-Yuan;Huang Peng.In-situ SERS of Dissociative Adsorption and Oxidation of Ethanol on Roughed Platinum Electrodes[J]. Acta Phys. -Chim. Sin., 2004,20(09): 1163-1166
17. Fan You-Jun;Fan Chun-Jie;Zhen Chun-Hua;Chen Sheng-Pei;Sun Shi-Gang.Kinetics of Dissociative Adsorption of Ethylene Glycol on Pt(111) Electrode[J]. Acta Phys. -Chim. Sin., 2004,20(04): 382-385
18. Zhou Bao-Xue;Cai Wei-Min;Zou Li-Zhuang.Thermodynamic Functions of Transfer of Naphthalene from Water to Water-t-butyl Alcohol Solutions[J]. Acta Phys. -Chim. Sin., 2003,19(09): 867-870
19. Nan Zhao-Dong;Tan Zhi-Cheng;Sun Li-Xian.Thermodynamic Investigation of the High Efficient Working Fluid Used for a Heat Pipe[J]. Acta Phys. -Chim. Sin., 2003,19(09): 883-885
20. Wang Hong-Yan;Chen Chang-An;Sun Ying;Zhu Zheng-He.Structure and Thermodynamic Properties of UO2, UC2 and UCO[J]. Acta Phys. -Chim. Sin., 2003,19(07): 651-653
21. Liu Bei-Ping;Tan Zhi-Cheng;Yu Hua-Guang;Lan Xiao-Zheng;Zhang Da-Shun;Liu Ping;Sun Li-Xian.Thermodynamic Properties of [Ho2(Ala)4(H2O)8]Cl6 (Ala=alanine)[J]. Acta Phys. -Chim. Sin., 2003,19(05): 445-449
22. Nan Zhao-Dong;Tan Zhi-Cheng;Sun Li-Xian.Low Temperature Heat Capacities and Thermodynamic Functions of Potassium Dichromate[J]. Acta Phys. -Chim. Sin., 2002,18(10): 947-951
23. Liu Feng-Ling.DFT Studies on the UnsaturatedCarbenoid H2C=CLiF[J]. Acta Phys. -Chim. Sin., 2002,18(03): 228-231
24. Luo De-Li;Jiang Gang;Zhu Zheng-He;Meng Da-Qiao;Xue Wei-Dong.Ab initio of the Thermodynamic Function for the Hydrogenating of Zirconium-Cobalt Alloy[J]. Acta Phys. -Chim. Sin., 2001,17(10): 913-917
25. Luo De-Li;Zhu Zheng-He;Jiang Gang;Meng Da-Qiao;Xue Wei-Dong.Quantum Mechanical Calculation of the Adsorption of Hydrogen Isotopes on Metallic Zirconium[J]. Acta Phys. -Chim. Sin., 2001,17(07): 626-630
26. Wu Hai-Shun;Xu Xiao-Hong;Zhang Cong-Jie;Jin Zhi-Hao.Structure and Thermodynamic Properties of (Cl2AlNH2)n and (H2AlNH2)n Clusters[J]. Acta Phys. -Chim. Sin., 2001,17(04): 324-328
27. Gong Xue-Dong, Xiao He-Ming.Calculations of the Structure,Vibrational Spectrum and Thermodynamic Properties of Succinimide[J]. Acta Phys. -Chim. Sin., 1999,15(08): 688-692
28. Zhang Guo-Xiu,Yu xiu-Fang.Study on the Thermodynamical Functions of the Hydrolytic Polymerization of Chromium(III) Ion by Microcalorimetric Method[J]. Acta Phys. -Chim. Sin., 1995,11(08): 766-768
29. Sun Shi-Gang, Lu Guo-Qiang.Kinetics and Time Resolved FTIR Spectroscopic Characters of Dissociative Adsorption of HCOOH on Pt Electrode[J]. Acta Phys. -Chim. Sin., 1995,11(01): 56-60
30. Wang Ze-Xin, Zhang Ji-Shu, Yu Xiao-An, Hao Ce, Chen Zong-Qi.Effect of the Ni(510) Step Surface for the Dissociative Adsorption of Hydrogen Molecule[J]. Acta Phys. -Chim. Sin., 1994,10(10): 915-920
31. Ma Yu-Xin, Lu Xiang-Sheng, Wang Lian-Shun, Chen Rong-Ti.Study on the Complexation of N-(para-Substituted Phenyl) Nitrogen-Hetero-15-Crown-5 with Alkali Ions by Titration Calorimetry[J]. Acta Phys. -Chim. Sin., 1994,10(06): 560-564
32. Hao Ce; Sun Zhi-Gang; Chen Zong-Qi; Shi Cai-Yun.Effect of the Length of Alkane Skeleton on the Thermodynamic Function of Microemulsion with Nonionic Surfactant[J]. Acta Phys. -Chim. Sin., 1993,9(02): 229-232
33. Sun Shi-Gang; Wang Jin-Jian; Mu Ji-Qian.A Dynamic Investigation of the Dissociative Adsorption of Hcooh on Pt(100) Single Crystal Electrode[J]. Acta Phys. -Chim. Sin., 1992,8(06): 732-735
34. Li Xue-Gang; Zhao Guo-Xi.Effects of Oxyethylene on Thermodynamic Function of the Micellization[J]. Acta Phys. -Chim. Sin., 1992,8(06): 736-741
35. Zhou Zuo-Xiang; He Chun-Hong; Wang Zheng-Ping; Wang Chun-Ming.The Determination of Thermodynamic Characteristics of Several Rare Earth Hydrogen-Storage Alloys by Electrochemical Method[J]. Acta Phys. -Chim. Sin., 1992,8(04): 558-562
36. Sun Shi-Gang; Yang Dong-Fang; Tian Zhao-Wu.IN-SITU FTIR Studies on Adsorption and Oxidation of 1,2-Propanediol at a Platinum Electrode in Acid Solutions[J]. Acta Phys. -Chim. Sin., 1992,8(01): 59-63
37. TANG Huan-Feng, HUANG Zai-Yin, XIAO Ming.Effects of Particle Size and Temperature on Surface Thermodynamic Functions of Cubic Nano-Cu2O[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
Copyright © 2006-2016 Editorial office of Acta Physico-Chimica Sinica
Address: College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P.R.China
Service Tel: +8610-62751724 Fax: +8610-62756388
^ Top