Pub Date : 2016-01-06DOI: 10.4172/2161-0398.1000199
Huimin You, Yanying Zhao
Fe (III) 2, 9, 16, 23-phthalocyanine tetracarboxylic acid [FePc(COOH)4], synthesized via the reaction of trimellitic anhydride and urea at their melting points, was used to sensitize titanium dioxide by impregnation and adsorption. Ultraviolet-visible spectroscopy showed that the catalyst could effectively degrade photosensitive organic dyes, such as methylene blue, rhodamine B, neutral red, acid red, and malachite green. With an exposure time of 100 min, the degradation rate for all the dyes was >80%. In addition, in the case of rhodamine B, the FePc(COOH)4/TiO2 system showed the best degradation efficiency at pH=6. To investigate the relationship between degradation concentration and illumination time, first-order degradation kinetics equations were derived. Upon loading TiO2 with phthalocyanine, the photoactivity of TiO2 was extended to the visible light region, potentially enabling the use of solar energy for the photodegradation of organic dyes and other pollutants in wastewater.
{"title":"Synthesis, Characterization and Visible Photocatalytic Performance of Iron (III) Tetracarboxyphthalocyanine-Sensitized TiO2 Photocatalyst","authors":"Huimin You, Yanying Zhao","doi":"10.4172/2161-0398.1000199","DOIUrl":"https://doi.org/10.4172/2161-0398.1000199","url":null,"abstract":"Fe (III) 2, 9, 16, 23-phthalocyanine tetracarboxylic acid [FePc(COOH)4], synthesized via the reaction of trimellitic anhydride and urea at their melting points, was used to sensitize titanium dioxide by impregnation and adsorption. Ultraviolet-visible spectroscopy showed that the catalyst could effectively degrade photosensitive organic dyes, such as methylene blue, rhodamine B, neutral red, acid red, and malachite green. With an exposure time of 100 min, the degradation rate for all the dyes was >80%. In addition, in the case of rhodamine B, the FePc(COOH)4/TiO2 system showed the best degradation efficiency at pH=6. To investigate the relationship between degradation concentration and illumination time, first-order degradation kinetics equations were derived. Upon loading TiO2 with phthalocyanine, the photoactivity of TiO2 was extended to the visible light region, potentially enabling the use of solar energy for the photodegradation of organic dyes and other pollutants in wastewater.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88610597","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2016-01-01DOI: 10.4172/2161-0398.1000E132
J. Sabin
Fast ions, such as protons and alphas, interact with, and deposit energy in, target ions and molecules by converting kinetic energy of the projectile to target electronic energy. Such energy deposition occurs in situations as different as deep space and plasmas and can involve targets as different as atomic ions and rather complicated organic molecules [1]. In most cases, the deposition of electronic energy by a fast ion with velocity v in a target of scatterer particle density n is described by the equation:
{"title":"Stopping Power of Multiply Charged Ions","authors":"J. Sabin","doi":"10.4172/2161-0398.1000E132","DOIUrl":"https://doi.org/10.4172/2161-0398.1000E132","url":null,"abstract":"Fast ions, such as protons and alphas, interact with, and deposit energy in, target ions and molecules by converting kinetic energy of the projectile to target electronic energy. Such energy deposition occurs in situations as different as deep space and plasmas and can involve targets as different as atomic ions and rather complicated organic molecules [1]. In most cases, the deposition of electronic energy by a fast ion with velocity v in a target of scatterer particle density n is described by the equation:","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91277777","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2016-01-01DOI: 10.4172/2161-0398.1000232
K. Vishwanathan, M. Springborg
The vibrational heat capacity Cvib of a re-optimized neutral gold cluster AuN=14 was investigated at temperatures 0.5-300/950 K. The vibrational frequency of a optimized cluster was revealed by small atomic displacements using a numerical finite-differentiation method. This method was implemented using density-functional tight-binding (DFTB) approach. The desired set of system eigenfrequencies (3N-6) was obtained by diagonalization of the symmetric positive semidefinite Hessian matrix. Our investigation revealed that the Cvib curve is strongly influenced by temperature, size and structure dependency. The effect of the range of interatomic forces is studied, especially the lower frequencies make a significant contribution to the heat capacity at low temperatures. Surprisingly, the Boson peaks are typically ascribed to an excess density of vibrational states for the small clusters. Finally, temperature dependencies of the vibrational heat capacities of the re-optimized neutral gold cluster have been studied for the first time.
{"title":"Vibrational Heat Capacity of Gold Cluster AuN=14 at Low Temperatures","authors":"K. Vishwanathan, M. Springborg","doi":"10.4172/2161-0398.1000232","DOIUrl":"https://doi.org/10.4172/2161-0398.1000232","url":null,"abstract":"The vibrational heat capacity Cvib of a re-optimized neutral gold cluster AuN=14 was investigated at temperatures 0.5-300/950 K. The vibrational frequency of a optimized cluster was revealed by small atomic displacements using a numerical finite-differentiation method. This method was implemented using density-functional tight-binding (DFTB) approach. The desired set of system eigenfrequencies (3N-6) was obtained by diagonalization of the symmetric positive semidefinite Hessian matrix. Our investigation revealed that the Cvib curve is strongly influenced by temperature, size and structure dependency. The effect of the range of interatomic forces is studied, especially the lower frequencies make a significant contribution to the heat capacity at low temperatures. Surprisingly, the Boson peaks are typically ascribed to an excess density of vibrational states for the small clusters. Finally, temperature dependencies of the vibrational heat capacities of the re-optimized neutral gold cluster have been studied for the first time.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88769826","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2016-01-01DOI: 10.4172/2161-0398.1000225
R. Sawant
Densities, viscosities, speed of sound and IR spectroscopy of binary mixtures of tert-butyl acetate (tBA) with isopropylbenzene, isobutylbenzene, methoxybenzene have been measured over the entire range of composition, at (298.15 and 308.15) K and at atmospheric pressure. From the experimental values of density, viscosity, speed of sound and IR spectroscopy the excess molar volumes (VE), deviations in viscosity (Δη) and deviation in isentropic compressibility (Δks) and stretching frequency () have been calculated. The excess molar volumes and deviations in isentropic compressibility with tBA are positive for the mixtures of isobutylbenzene and methoxybenzene with tBA and, negative for isopropylbenzene with tBA while deviations in viscosities are negative for the binary mixtures of isobutylbenzene, methoxybenzene and positive for isopropylbenzene. The excess molar volumes, deviations in viscosity and, deviations in isentropic compressibility have been fitted to the Redlich-Kister polynomial equation.
{"title":"Volumetric, Viscometric, Acoustic and IR Spectroscopic Studies of Binary Mixtures of Tert-butyl Acetate with Isopropylbenzene, Isobutylbenzene and Methoxybenzene at T=298.15 and 308.15 K","authors":"R. Sawant","doi":"10.4172/2161-0398.1000225","DOIUrl":"https://doi.org/10.4172/2161-0398.1000225","url":null,"abstract":"Densities, viscosities, speed of sound and IR spectroscopy of binary mixtures of tert-butyl acetate (tBA) with isopropylbenzene, isobutylbenzene, methoxybenzene have been measured over the entire range of composition, at (298.15 and 308.15) K and at atmospheric pressure. From the experimental values of density, viscosity, speed of sound and IR spectroscopy the excess molar volumes (VE), deviations in viscosity (Δη) and deviation in isentropic compressibility (Δks) and stretching frequency () have been calculated. The excess molar volumes and deviations in isentropic compressibility with tBA are positive for the mixtures of isobutylbenzene and methoxybenzene with tBA and, negative for isopropylbenzene with tBA while deviations in viscosities are negative for the binary mixtures of isobutylbenzene, methoxybenzene and positive for isopropylbenzene. The excess molar volumes, deviations in viscosity and, deviations in isentropic compressibility have been fitted to the Redlich-Kister polynomial equation.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89637902","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-12-08DOI: 10.4172/2161-0398.1000198
Na Xu, Qian Gu
{"title":"Licensing your Own Patents Should be Easier","authors":"Na Xu, Qian Gu","doi":"10.4172/2161-0398.1000198","DOIUrl":"https://doi.org/10.4172/2161-0398.1000198","url":null,"abstract":"","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91459450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-11-24DOI: 10.4172/2161-0398.1000195
Fedotov Vg, F. Eya
The data, concerning to the nitrogen oxidation reaction, initiated by electrical discharge, are reviewed in this article. The reviewed data lead to conclusion that critical concentrations of NO molecules and NO3 radicals can be achieved in course of discharge in air at some special conditions, thereafter avalanche-like rise of reaction velocity is observed. At explosion conditions the oxidation of nitrogen proceeds until full exhaustion of atmospheric oxygen in the reaction zone. Explosion like kinetics of nitrogen oxidation results in high concentration of electronically excited molecules NO(B 2Π), it forms conditions for laser generation in the blue region of the spectrum. The generation of this kind was observed. The proposed mechanism of chain reaction explains all the experimental data.
{"title":"The Chain Reaction of Atmospheric Nitrogen Oxidation, Initiated by an Electric Discharge in Air","authors":"Fedotov Vg, F. Eya","doi":"10.4172/2161-0398.1000195","DOIUrl":"https://doi.org/10.4172/2161-0398.1000195","url":null,"abstract":"The data, concerning to the nitrogen oxidation reaction, initiated by electrical discharge, are reviewed in this article. The reviewed data lead to conclusion that critical concentrations of NO molecules and NO3 radicals can be achieved in course of discharge in air at some special conditions, thereafter avalanche-like rise of reaction velocity is observed. At explosion conditions the oxidation of nitrogen proceeds until full exhaustion of atmospheric oxygen in the reaction zone. Explosion like kinetics of nitrogen oxidation results in high concentration of electronically excited molecules NO(B 2Π), it forms conditions for laser generation in the blue region of the spectrum. The generation of this kind was observed. The proposed mechanism of chain reaction explains all the experimental data.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88670727","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-11-18DOI: 10.4172/2161-0398.1000194
A. Jana, P. Roy, Sanghita Mondal, Subrata Das, D. Nath
Magnetic field effect (MFE) on pyrene-N,N-dimethylaniline (Py-DMA) exciplex system in benzene-acetonitrile (Bz-ACN) mixtures of varying bulk permittivity (e) has been studied. The MFE has been wavelength resolved over the emission band of the exciplex along with the measurement of lifetime. The data establishes the concept of formation of two types of exciplexes (Relaxed and Un-relaxed) at higher bulk value of permittivity. At lower value of permittivity when solvent reorganization energy is not so prominent effectively only a single type of exciplex (Relaxed) is formed. The data also indicates that the benzene π cloud favors formation of relaxed exciplex.
研究了不同体介电常数(e)的苯-乙腈(Bz-ACN)混合物中芘- n, n -二甲苯胺(Py-DMA)配合物体系的磁场效应(MFE)。在激振复合物的发射波段上对MFE进行了波长分辨，并测量了寿命。这些数据建立了在较高的介电常数体积值下形成松弛和非松弛两种杂合体的概念。在介电常数较低时，当溶剂重组能不那么显著时，只形成单一类型的外络合物(松弛型)。数据还表明苯π云有利于松弛外络合物的形成。
{"title":"Further Studies on Relaxed and Un-Relaxed Exciplexes in Pyrene-N,NDimethylaniline System in Benzene-Acetonitrile Binary Solvents","authors":"A. Jana, P. Roy, Sanghita Mondal, Subrata Das, D. Nath","doi":"10.4172/2161-0398.1000194","DOIUrl":"https://doi.org/10.4172/2161-0398.1000194","url":null,"abstract":"Magnetic field effect (MFE) on pyrene-N,N-dimethylaniline (Py-DMA) exciplex system in benzene-acetonitrile (Bz-ACN) mixtures of varying bulk permittivity (e) has been studied. The MFE has been wavelength resolved over the emission band of the exciplex along with the measurement of lifetime. The data establishes the concept of formation of two types of exciplexes (Relaxed and Un-relaxed) at higher bulk value of permittivity. At lower value of permittivity when solvent reorganization energy is not so prominent effectively only a single type of exciplex (Relaxed) is formed. The data also indicates that the benzene π cloud favors formation of relaxed exciplex.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76538876","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-11-11DOI: 10.4172/2161-0398.1000190
N. Temenos, D. Nikolopoulos, Ermioni Petraki, P. Yannakopoulos
Indoor air quality (IAQ) is an active field of research due to the health impacts that the air pollutants impose to humans. To investigate the situation for Greece, this study modelled with CONTAM(W) the distribution of concentrations of certain air pollutants that are present in Greek dwellings. For the simulations, typical Greek dwellings were described in CONTAM(W) and certain air pollutants were added to modelling scenarios. The investigated pollutants were the carbon monoxide (CO), the nitrogen dioxide (NO2), the particulate matter (PM2.5), radon (222Rn) and formaldehyde (CH2O). To specialize for Greece, several parameters were properly adjusted in CONTAM(W) libraries and other variables were set accordingly. CONTAM(W) runs generated several concentration profiles for all the studied air pollutants. The corresponding health effects were addressed through the virtual concentration distribution inhaled by potential occupants of the modelled dwellings. The distribution profiles and the corresponding health effects were found to depend on (a) the amount of time which an exposed person would spend in a zone with a source of pollution, (b) the operation duration of the cuisine and the heater, (c) the weather parameters, (d) the indoor design of the dwelling, (e) the location of the source of pollution and the (f) size of the openings of the dwelling. The results indicated that the alteration of the baseline levels of the CONTAM(W) parameters affects the distributions and the modelled health effects.
{"title":"Modelling of Indoor Air Quality of Greek Apartments Using CONTAM(W)Software","authors":"N. Temenos, D. Nikolopoulos, Ermioni Petraki, P. Yannakopoulos","doi":"10.4172/2161-0398.1000190","DOIUrl":"https://doi.org/10.4172/2161-0398.1000190","url":null,"abstract":"Indoor air quality (IAQ) is an active field of research due to the health impacts that the air pollutants impose to humans. To investigate the situation for Greece, this study modelled with CONTAM(W) the distribution of concentrations of certain air pollutants that are present in Greek dwellings. For the simulations, typical Greek dwellings were described in CONTAM(W) and certain air pollutants were added to modelling scenarios. The investigated pollutants were the carbon monoxide (CO), the nitrogen dioxide (NO2), the particulate matter (PM2.5), radon (222Rn) and formaldehyde (CH2O). To specialize for Greece, several parameters were properly adjusted in CONTAM(W) libraries and other variables were set accordingly. CONTAM(W) runs generated several concentration profiles for all the studied air pollutants. The corresponding health effects were addressed through the virtual concentration distribution inhaled by potential occupants of the modelled dwellings. The distribution profiles and the corresponding health effects were found to depend on (a) the amount of time which an exposed person would spend in a zone with a source of pollution, (b) the operation duration of the cuisine and the heater, (c) the weather parameters, (d) the indoor design of the dwelling, (e) the location of the source of pollution and the (f) size of the openings of the dwelling. The results indicated that the alteration of the baseline levels of the CONTAM(W) parameters affects the distributions and the modelled health effects.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73650289","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-11-11DOI: 10.4172/2161-0398.1000191
D. Koulougliotis, A. Kalimeris, Sotiria Potozi, R. Lorilla, Georgios Kefalas, D. Nikolopoulos
Ozone concentrations of indoor air were measured in dwellings in three areas of Greece, namely Athens, Salamina Island and Zakynthos Island. The measurements were conducted as a function of the following four parameters: the time during the day, the time period that the openings of a dwelling (windows, doors) remained closed, the degree of urbanization and the floor of the dwelling. The statistical analysis of the data showed that there was a strong dependence of the indoor ozone levels on the first three of the above mentioned parameters while this was not the case for the floor of the dwelling. The indoor versus outdoor ozone levels (I/O ratios) were calculated and their dependence on the same four experimental parameters was also examined.
{"title":"Indoor Air Pollution: The Case of Ozone in Three Regions in Greece","authors":"D. Koulougliotis, A. Kalimeris, Sotiria Potozi, R. Lorilla, Georgios Kefalas, D. Nikolopoulos","doi":"10.4172/2161-0398.1000191","DOIUrl":"https://doi.org/10.4172/2161-0398.1000191","url":null,"abstract":"Ozone concentrations of indoor air were measured in dwellings in three areas of Greece, namely Athens, Salamina Island and Zakynthos Island. The measurements were conducted as a function of the following four parameters: the time during the day, the time period that the openings of a dwelling (windows, doors) remained closed, the degree of urbanization and the floor of the dwelling. The statistical analysis of the data showed that there was a strong dependence of the indoor ozone levels on the first three of the above mentioned parameters while this was not the case for the floor of the dwelling. The indoor versus outdoor ozone levels (I/O ratios) were calculated and their dependence on the same four experimental parameters was also examined.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91049157","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-11-10DOI: 10.4172/2161-0398.1000192
R. Wu, Xinlong Qiu, Xiguo Zeng, B. Kong, Xiaozhen Yang
Molecular dynamics simulations have been performed on the aqueous solutions of Poly(vinyl methyl ether) (PVME) at various concentrations. Both radial and spatial distribution functions are used to investigate the detailed hydration structures. The structures of water are found to get increasingly concentrated when polymers are introduced and the water motions are severely hindered by the polymer matrix. At low concentrations, larger populations of tt conformers in meso dyads than those at higher concentrations are found and this phenomenon is believed to be due to the increase of water molecule bonding to two ether oxygens in meso dyad. At higher concentrations the sizes and conformations of polymers are quite similar with those in bulk. A transition of hydrogen bond fractions between PVME and water at around the concentration of 0.3 is observed and this value coincides perfectly well with the results of conformational analysis and Raman spectra. Second neighbor hydrogen bond statistics showed that complicated hydrogen bond networks take the lead at low concentrations, but single hydrogen bonds as well as isolated clusters composed of 2-4 water molecules are found common around each polymer repeat unit.
{"title":"Molecular Dynamics Simulations of Atomistic Detailed Hydration Structures of Poly(vinyl methyl ether)","authors":"R. Wu, Xinlong Qiu, Xiguo Zeng, B. Kong, Xiaozhen Yang","doi":"10.4172/2161-0398.1000192","DOIUrl":"https://doi.org/10.4172/2161-0398.1000192","url":null,"abstract":"Molecular dynamics simulations have been performed on the aqueous solutions of Poly(vinyl methyl ether) (PVME) at various concentrations. Both radial and spatial distribution functions are used to investigate the detailed hydration structures. The structures of water are found to get increasingly concentrated when polymers are introduced and the water motions are severely hindered by the polymer matrix. At low concentrations, larger populations of tt conformers in meso dyads than those at higher concentrations are found and this phenomenon is believed to be due to the increase of water molecule bonding to two ether oxygens in meso dyad. At higher concentrations the sizes and conformations of polymers are quite similar with those in bulk. A transition of hydrogen bond fractions between PVME and water at around the concentration of 0.3 is observed and this value coincides perfectly well with the results of conformational analysis and Raman spectra. Second neighbor hydrogen bond statistics showed that complicated hydrogen bond networks take the lead at low concentrations, but single hydrogen bonds as well as isolated clusters composed of 2-4 water molecules are found common around each polymer repeat unit.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88530639","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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