Chinese︱Feedback︱Save this page

Login︱Register

• Elaborating Academic Views 　　　　 • Exchanging Innovative Ideas
• Protecting Intellectual Properties 　　• Fast Sharing Science Papers

Sponsored by the Center for Science and Technology Development of the Ministry of Education
Supervised by Ministry of Education of the People's Republic of China

Home > Papers > Physical-Chemistry

There are 172 papers published in subject: > since this site started.

Results per page:

172 Total, 18 Pages | << First < Previous 11 12 13 14 15 16 17 Next > Last >>

Select Subject

All (8828)

Agronomy (158)

Animal Husbandry,... (64)

Aquatic Science (16)

Astronomy (36)

Aviation (22)

Basic Medicine (184)

Biology (504)

Chemical Engineering (103)

Chemistry (635)

Civil and Archite... (105)

Clinical Medicine (236)

Computer Science ... (924)

Dynamic and Elect... (121)

Earth Science (119)

Economics (67)

Education (31)

Electrics, Commun... (927)

Energy Science an... (67)

Engineering and T... (15)

Environmental Sci... (140)

Food Science and ... (63)

Forestry (36)

Hydraulic Enginee... (40)

Mechanics (240)

Metallurgical Eng... (32)

Mine Engineering ... (38)

Nuclear Science a... (21)

Pharmacy (98)

Physics (920)

Preventive Medici... (37)

Psychology (20)

Security Science ... (17)

Sports Science (6)

Surveying and Map... (15)

Textile Science a... (16)

Traditional Chine... (56)

Transportation En... (57)

Third-level Subject

Catalytic Chemistry(18)
Chemical Kinetics (includ...(0)
Chemical Thermodynamics(2)
Colloid Chemistry and Int...(14)
Computational Chemistry(14)
Electrochemistry(22)
High-energy Chemistry(0)
Other Subjects of Physica...(4)
Photochemistry(including ...(4)
Quantum Chemistry(11)
Structural Chemistry (inc...(7)
Thermochemistry(1)

Rank

Results per page:

172 Total, 18 Pages | << First < Previous 11 12 13 14 15 16 17 Next > Last >>

Alert Name:
Alerting to:
Authentication email will be sent to your email address in 24 hours
Frequency:
Email Message Format:	Plain text Graphical(HTML)

Complete the form below and we will recommend the selected titles to your friends on your behalf. * Indicates a required field.
Your name*:
Your email address*:
Recipient's name*:
Recipient's email address*:
(multiple recipient's names and email addresses should be separated with semicolons)
Your comments:	I thought you would find the page(s) useful.

Your name:
Your email address:
Recipient's name:
Recipient's email address:
(multiple recipient's names and email addresses should be separated with semicolons)
Your comments:	I thought you would find this page useful.

Disclaimer: This message was sent to your friend using the "Send it to a friend" facility on the Sciencepaper Online’ WWW site, http://www.paper.edu.cn/en. The Sciencepaper Online is not responsible for the content of this email, and anything said in this email does not necessarily reflect the Sciencepaper Online's views.


	1. MechGen: a program for automatic mechanism generation of the large hydrocarbons
	Li Jun ,Li Xiangyuan ,Li Zerong
	Chemistry 10 February 2009
	Show/Hide Abstract \| Cite this paper︱Full-text: PDF (0 B)

	Abstract:A new reaction mechanism generator MechGen is used to automatically produce elementary reactions of large hydrocarbons. The code is based on canonical treelike description of molecules and free radicals. Each species is canonically represented through the SMILES-like approach. The mechanism is generated using a set of reaction patterns. These patterns are the internal representations for a given class of reaction thus allow us to eliminate unimportant product species a priori. Kinetic parameters are sorted by reaction pattern, i.e. same pattern same kinetic parameters. Theoretical background and test cases on combustion of hydrocarbons are presented.
	TO cite this article:Li Jun ,Li Xiangyuan ,Li Zerong . MechGen: a program for automatic mechanism generation of the large hydrocarbons[OL].[10 February 2009] http://en.paper.edu.cn/en_releasepaper/content/28700


	2. Solubilities of L-Proline in Subcritical HFC-134a and Supercritical CO2 Fluid
	LIU Ling,LI Zhen,LIU Zhong-Wen,LIU Zhao-Tie
	Chemistry 02 February 2009
	Show/Hide Abstract \| Cite this paper︱Full-text: PDF (0 B)

	Abstract:A static method coupled with gravimetric analysis was used to measure the solubility of L-proline in subcritical 1,1,1,2-tetrafluoroethane (HFC-134a) and supercritical CO2(scCO2). The solubility of L-proline is much higher in HFC-134a fluid than in scCO2. The solubilities of L-proline in HFC-134a and scCO2 are affected by temperature and pressure. The solubilities increase with increasing temperature and pressure for both scCO2 and HFC-134a solvents. The densities of scCO2 and subcritical HFC-134a were calculated using the Peng-Robinson (P-R) equation. Experimentally determined density data were used to assess the accuracy of the P-R equation.
	TO cite this article:LIU Ling,LI Zhen,LIU Zhong-Wen, et al. Solubilities of L-Proline in Subcritical HFC-134a and Supercritical CO2 Fluid[J].J. Chem. Eng. Data ，2009年，54卷，9期，2780 ~ 2784

Saved Papers

Saved Papers


	3. Synthesis and Characterization of multi-walled carbon nanotube/gold nanoparticle heterojunctions
	Xiumei Feng,Jianqiang Hu,Xiaohua Chen,Jingsi Xie,Yuying Liu
	Chemistry 20 January 2009
	Show/Hide Abstract \| Cite this paper︱Full-text: PDF (0 B)

	Abstract:Multi-walled carbon nanotube/gold nanoparticle (MWCNT/Au) heterojunctions were synthesized in high yield by a sulfhydryl-functionalized self-assembly strategy. Component, size, structure, morphology, and bond mode of the MWCNT/Au heterojunctions prepared thus were investigated and demonstrated by TEM, SEM, XRD, EDS, FTIR, and UV-vis measurements. And that cyclic voltammogram and EIS studies indicate that the MWCNT/Au heterojunctions have novel electron transfer property, which retard electron transfer of the HRP or the ferricyanide in the underlying electrodes. We believe that the MWCNT/Au heterojunctions with high-stability and unique electrical property are expected to find potential applications for nanodevices.
	TO cite this article:Xiumei Feng,Jianqiang Hu,Xiaohua Chen, et al. Synthesis and Characterization of multi-walled carbon nanotube/gold nanoparticle heterojunctions[OL].[20 January 2009] http://en.paper.edu.cn/en_releasepaper/content/28081


	4. Synthesis, Crystal Structure and Theoretical Calculation of DNAZ•NTO
	Li Zhaona,Ma Haixia,Yan Biao,Guan Yulei,Song Jirong
	Chemistry 16 January 2009
	Show/Hide Abstract \| Cite this paper︱Full-text: PDF (0 B)

	Abstract:DNAZ•NTO was prepared by mixing 3,3-dinitroazetidine(DNAZ) and 3-nitro-1,2, 4-triazol-5-one (NTO) in ethanol solution. Single crystals suitable for X-ray measurement were obtained. DNAZ•NTO crystallizes in the monoclinic system, space group P21/n with unit cell parameters of a = 1.4970 (4) nm, b =0.6325 (2) nm, c =2.2347 (7) nm,β=96.55 (1), V = 2.1022(11) nm3 , Z = 8. Based on the analysis of the molecule structure, the theoretical investigation of the title compound was carried out with B3LYP method on 6-311++G(**) basis set, and the natural atomic charge and bond orbital analyses were also performed.
	TO cite this article:Li Zhaona,Ma Haixia,Yan Biao, et al. Synthesis, Crystal Structure and Theoretical Calculation of DNAZ•NTO[OL].[16 January 2009] http://en.paper.edu.cn/en_releasepaper/content/27965


	5. The effect of several reaction parameters on the catalytic pyrolysis of pubescens over zeolite NaY
	Miao Xia,Hu Changwei,Luo Jia,Yang Yu,Du Ying,Qi Weiyan,Li Guiying
	Chemistry 16 January 2009
	Show/Hide Abstract \| Cite this paper︱Full-text: PDF (0 B)

	Abstract:The effects of zeolite NaY dosage, pyrolysis time and pyrolysis temperature on the pyrolysis of pubescens were investigated. It was found that the presence of zeolite NaY greatly enhanced the yield of liquid products and remodeled the distribution of the pyrolytic liquid products directing to a good selectivity to acetic acid, and different liquid monomers could be acquired by controlling the pyrolysis temperature and pyrolysis time. The increase of liquid yield could be attributed to the catalytically selective conversion of primary pyrolytic intermediates to form liquid products instead of the formation of gaseous products or coke in the absence of catalyst. It was shown that when the ratio of zeolite NaY/Pubescens was below 1:1, the decomposition of several intermediate species leading to gaseous products passed the high temperature reaction zone directly without being altered by the catalyst, leading to equivalent amount of gaseous products formed. When zeolite NaY/pubescens ratio increased over 1:1, those species leading to gaseous products by thermal decomposition underwent catalytic pyrolytic conversion and gave out liquid products. The deactivation of the zeolite NaY was also tested. Zeolite NaY was deactivated after four repeated runs. XRD (X-ray diffraction) results showed that several diffraction peaks of zeolite NaY were intensified while certain others were weakened by 10 hours pyrolysis at 873K. The deactivation of zeolite NaY was caused by the variation of the crystalline structure and the deposition of coke formed in the repeated runs as revealed by XRD and SEM.
	TO cite this article:Miao Xia,Hu Changwei,Luo Jia, et al. The effect of several reaction parameters on the catalytic pyrolysis of pubescens over zeolite NaY[OL].[16 January 2009] http://en.paper.edu.cn/en_releasepaper/content/27941


	6. l-MnO2 as a potential material for asymmetric supercapacitor
	Yun Xue,Milin Zhang,Chen Ye
	Chemistry 15 January 2009
	Show/Hide Abstract \| Cite this paper︱Full-text: PDF (0 B)

	Abstract:l-MnO2 was used as positive electrode for the asymmetric supercapacitor in combination with an active carbon (AC) negative electrode in Li2SO4 aqueous solution. These electrode materials were characterized by XRD, SEM as well as electrochemical techniques. The l-MnO2 and active carbon electrodes were individually tested in 1 mol•L−1 Li2SO4 aqueous electrolyte in order to define the working voltage. The hybrid supercapacitor shows good properties and operated well in potential range of 0 to 1.8 V, and delivers a specific capacitance of 67.2 F•g−1 at a constant current density of 2 mA•cm−2. It is obvious that l-MnO2 is a potential electrode material for asymmetric supercapacitor.
	TO cite this article:Yun Xue,Milin Zhang,Chen Ye. l-MnO2 as a potential material for asymmetric supercapacitor[OL].[15 January 2009] http://en.paper.edu.cn/en_releasepaper/content/27856


	7. Comparative study of the hydrogen-bonded complexes of
	Zhang WenHua,Bi Shi
	Chemistry 14 January 2009
	Show/Hide Abstract \| Cite this paper︱Full-text: PDF (0 B)

	Abstract:The hydrogen-bonded complexes of water with eight amino acids (Pro, Hyp, Ser, Glu, Arg, Lys, Gly and Asp) found frequently in collagen were studied. The structures, stability and vibrational spectra of the hydrogen-bonded complexes have been studied by using DFT calculations. Full geometry optimization has been performed for the studied complexes by B3LYP/6-31+G(d) and B3LYP/6-311++G(d,p) calculations. The optimized geometric parameters and interaction energies for various complexes at two levels were estimated. Finally, the vibrational spectra of these complexes were also investigated. Having in mind the hydrogen bonds formed by C=O and N–H groups of the backbone and polar amino acid side chains in collagen, the hydrogen-bonded complexes can be ordered according to their stability as follows: Arg > Glu > Ser > Asp > Pro > Lys > Hyp > Gly. The BSSE corrected interaction energies suggest that the interactions of Pro, Lys, Hyp and Gly with water are similar. The B3LYP/6-311++G(d,p) calculations show the frequency red-shift in hydrogen bond donor modes and an increase of the IR intensity of the νOH vibration of H2O in the complexes A4, G3, N4, P2, L3, Hp4, Gly1 and S3 beyond thirty times.
	TO cite this article:Zhang WenHua,Bi Shi. Comparative study of the hydrogen-bonded complexes of[OL].[14 January 2009] http://en.paper.edu.cn/en_releasepaper/content/27836


	8. Influence of an external magnetic field on the formation of self-assembled monolayers of dodecanethiol on polycrystalline gold electrode
	Jiongjia Cheng,Jianyuan Dai,Jing Jin,Zhiguo Li,Yongbo Sun,Shuping Bi
	Chemistry 13 January 2009
	Show/Hide Abstract \| Cite this paper︱Full-text: PDF (0 B)

	Abstract:This paper reports the preparation of dodecanethiol self-assembled monolayers (C12SH-SAMs) on polycrystalline gold electrodes in a magnetic field. The qualities of C12SH-SAMs were characterized by both cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The results show that highly dense and well-ordered SAMs could form in a relatively short time (3 h), which had similar properties as the SAMs formed by common immersing protocol (24 h), indicating that the rate of SAMs formation increased under an external magnetic field compared with the natural self-assembly process. Moreover, the results of CV and EIS measurements also suggested that the presence of a magnetic field had influenced the properties of the SAMs; the stronger magnetic intensity can help to obtain more denser and well-ordered SAMs. This may be due to the magnetohydrodynamic effect and the orientation function of magnetic field on molecules.
	TO cite this article:Jiongjia Cheng,Jianyuan Dai,Jing Jin, et al. Influence of an external magnetic field on the formation of self-assembled monolayers of dodecanethiol on polycrystalline gold electrode[OL].[13 January 2009] http://en.paper.edu.cn/en_releasepaper/content/27743


	9. On the reactivity of Pt/H2O interface in the catalyst layer of PEMFCs
	Jun He,Shengli Chen,Yuwen Liu,He Rui
	Chemistry 09 January 2009
	Show/Hide Abstract \| Cite this paper︱Full-text: PDF (0 B)

	Abstract:The reactivity of Pt not in direct contact with solid electrolyte in the catalyst layer of PEMFCs is evaluated by investigating the distributions of proton concentration and electric potential in the interfacial region between Nafion membrane and water using Poisson-Boltzmann theory. It is shown that a depletion of proton concentration ( ) occurs within a thickness of about 0.2nm on the Nafion side of the interface. Away from the interface in water phase, the value of is about 0.02M at distance of 1nm and proton concentrations of ~0.001M are still seen at distances within 10 nm to the Nafion/H2O interface. This means that the water adjacent to the Nafion in the catalyst layers of PEMFCs may be significantly acidified to serve as acidic electrolyte. The catalyst surface that is separated from Nafion component in nanometer scales in the catalyst layer is thus likely to be accessible to fuel cell reactions by forming electrochemical interface with the acidified water.
	TO cite this article:Jun He,Shengli Chen,Yuwen Liu, et al. On the reactivity of Pt/H2O interface in the catalyst layer of PEMFCs[OL].[ 9 January 2009] http://en.paper.edu.cn/en_releasepaper/content/27565


	10. Study on the Pyrolysis of methyl tert-butyl ether (MTBE) with Molecular-Beam Mass Spectrometry and Tunable Synchrotron VUV Photoionization
	Taichang Zhang,Wang jing,Yuan Tao,Hong Xin,Zhang Lidong,Fei Qi
	Chemistry 06 January 2009
	Show/Hide Abstract \| Cite this paper︱Full-text: PDF (0 B)

	Abstract:An experimental study of MTBE pyrolysis (3.72% MTBE in argon) has been performed at low pressure (267 Pa) within the temperature range from 700 to 1420 K. The pyrolysis process was detected with the tunable synchrotron vacuum ultraviolet (VUV) photoionization and molecular-beam mass spectrometry (MBMS). About thirty intermediates are identified from near-threshold measurements of photoionization mass spectrum and photoionization efficiency spectrum. Among them, H2, CO, CH4, CH3OH and C4H8 are the major pyrolysis products. The radicals such as methyl, methoxy, propargyl, allyl, C4H5 and C4H7 are detected. The isomers of pyrolysis products are identified as well, i.e., propyne and allene, 1,2,3-butatriene and vinylacetylene, isobutene and 1-butene, propanal and acetone. Furthermore, the mole fractions of the pyrolysis products have been evaluated under various temperatures. Meanwhile the initial formation temperatures of different pyrolysis products can be obtained. This work is anticipated to present a new experimental method for pyrolysis study, and help understand the pyrolysis and combustion chemistry of MTBE and other oxygenated fuels.
	TO cite this article:Taichang Zhang,Wang jing,Yuan Tao, et al. Study on the Pyrolysis of methyl tert-butyl ether (MTBE) with Molecular-Beam Mass Spectrometry and Tunable Synchrotron VUV Photoionization[OL].[ 6 January 2009] http://en.paper.edu.cn/en_releasepaper/content/27379

	Check out RSS, or use RSS reader to subscribe this item