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Physics and Chemistry of Liquids最新文献

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Study on the molecular interactions of binary mixtures of allyl alcohol and amino-alcohol solvents through thermodynamic properties and FT-IR spectra and correlation with the Jouyban–Acree model 通过热力学性质和傅立叶变换红外光谱研究烯丙基醇和氨基醇溶剂二元混合物的分子相互作用以及与朱伊班-阿克里模型的相关性
IF 1.2 4区 化学
Physics and Chemistry of Liquids Pub Date : 2024-03-25 DOI: 10.1080/00319104.2024.2333958
B. Meenakshi, E. Ramanjaneyulu, P. Bharath, M. Gowrisankar, D. Ramachandran
{"title":"Study on the molecular interactions of binary mixtures of allyl alcohol and amino-alcohol solvents through thermodynamic properties and FT-IR spectra and correlation with the Jouyban–Acree model","authors":"B. Meenakshi, E. Ramanjaneyulu, P. Bharath, M. Gowrisankar, D. Ramachandran","doi":"10.1080/00319104.2024.2333958","DOIUrl":"https://doi.org/10.1080/00319104.2024.2333958","url":null,"abstract":"Densities (ρ), speeds of sound (u), and viscosities (η) for three binary mixtures of allyl alcohol with 3-amino-propan-1-ol, 2-amino-2-methyl-propan-1-ol (aminomethyl propanol), and 1-amino propan-...","PeriodicalId":20094,"journal":{"name":"Physics and Chemistry of Liquids","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140300619","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Determination of experimental solute descriptor values for methyl 3-nitrobenzoate by liquid–liquid partitioning and gas chromatography 通过液液分配和气相色谱法确定 3-硝基苯甲酸甲酯的实验溶质描述值
IF 1.2 4区 化学
Physics and Chemistry of Liquids Pub Date : 2024-03-18 DOI: 10.1080/00319104.2024.2331254
Nipun Chandrasiri, L. L. K. Perera, Sanka N. Atapattu, Thiloka C. Ariyasena
{"title":"Determination of experimental solute descriptor values for methyl 3-nitrobenzoate by liquid–liquid partitioning and gas chromatography","authors":"Nipun Chandrasiri, L. L. K. Perera, Sanka N. Atapattu, Thiloka C. Ariyasena","doi":"10.1080/00319104.2024.2331254","DOIUrl":"https://doi.org/10.1080/00319104.2024.2331254","url":null,"abstract":"In this study, methyl 3-nitrobenzoate, a popular compound used to protect crops and in the textile industry, was studied using liquid–liquid partitioning and gas chromatography and the Abraham solv...","PeriodicalId":20094,"journal":{"name":"Physics and Chemistry of Liquids","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140147629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Forcing broken symmetry to recover static electronic correlation: the H2 molecule test case 强制打破对称性以恢复静态电子相关性：H2 分子试验案例
IF 1.2 4区 化学
Physics and Chemistry of Liquids Pub Date : 2024-03-07 DOI: 10.1080/00319104.2024.2326118
Claudio Amovilli
{"title":"Forcing broken symmetry to recover static electronic correlation: the H2 molecule test case","authors":"Claudio Amovilli","doi":"10.1080/00319104.2024.2326118","DOIUrl":"https://doi.org/10.1080/00319104.2024.2326118","url":null,"abstract":"A self-consistent field method based on a density matrix functional theory scheme is presented to compute the potential energy curve of the hydrogen molecule. A functional to recover the so-called ...","PeriodicalId":20094,"journal":{"name":"Physics and Chemistry of Liquids","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140071206","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Densities and volumetric properties of pyridine with 2-dimethylaminoethanol and 2-diethylaminoethanol at temperatures from 293.15 to 313.15 K 吡啶与 2-二乙氨基乙醇和 2-二乙氨基乙醇在 293.15 至 313.15 K 温度下的密度和体积特性
IF 1.2 4区 化学
Physics and Chemistry of Liquids Pub Date : 2024-03-07 DOI: 10.1080/00319104.2024.2326108
Narendra Nath, Anjali Awasthi, Swati Dwivedi, Vaibhav Sharma, Aashees Awasthi
{"title":"Densities and volumetric properties of pyridine with 2-dimethylaminoethanol and 2-diethylaminoethanol at temperatures from 293.15 to 313.15 K","authors":"Narendra Nath, Anjali Awasthi, Swati Dwivedi, Vaibhav Sharma, Aashees Awasthi","doi":"10.1080/00319104.2024.2326108","DOIUrl":"https://doi.org/10.1080/00319104.2024.2326108","url":null,"abstract":"The densities ρ of binary mixtures of 2-(dimethylamino)ethanol and 2-diethylaminoethanol with pyridine were measured over the entire concentration range at 293.15, 303.15 and 313.15 K. The values o...","PeriodicalId":20094,"journal":{"name":"Physics and Chemistry of Liquids","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140071210","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Stable supercooling formation of guanidine monohydrochloride-based deep eutectic solvent induced by monosubstitution of urea as hydrogen bond donor 单取代脲作为氢键供体诱导单盐酸胍基深共晶溶剂形成稳定的过冷度
IF 1.2 4区 化学
Physics and Chemistry of Liquids Pub Date : 2024-03-07 DOI: 10.1080/00319104.2024.2325127
Tatsuya Umecky, Riko Yamaguchi, S. Hashimoto, Ryo Wakimoto, Hiroki Takeuchi
{"title":"Stable supercooling formation of guanidine monohydrochloride-based deep eutectic solvent induced by monosubstitution of urea as hydrogen bond donor","authors":"Tatsuya Umecky, Riko Yamaguchi, S. Hashimoto, Ryo Wakimoto, Hiroki Takeuchi","doi":"10.1080/00319104.2024.2325127","DOIUrl":"https://doi.org/10.1080/00319104.2024.2325127","url":null,"abstract":"","PeriodicalId":20094,"journal":{"name":"Physics and Chemistry of Liquids","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140077240","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of uniaxial strain on the electronic and magnetic properties of N2SrRb: a DFT study 单轴应变对 N2SrRb 电子和磁性能的影响：DFT 研究
IF 1.2 4区 化学
Physics and Chemistry of Liquids Pub Date : 2024-03-06 DOI: 10.1080/00319104.2024.2325119
M. I. Babalola, Omamoke O. E. Enaroseha, C. A. Ejelonu, E. Aigbekaen, I. Otete, S.A. Ekong, O. P. Osuhor, S. O. Ebuwa, B. E. Iyorzor
{"title":"Effect of uniaxial strain on the electronic and magnetic properties of N2SrRb: a DFT study","authors":"M. I. Babalola, Omamoke O. E. Enaroseha, C. A. Ejelonu, E. Aigbekaen, I. Otete, S.A. Ekong, O. P. Osuhor, S. O. Ebuwa, B. E. Iyorzor","doi":"10.1080/00319104.2024.2325119","DOIUrl":"https://doi.org/10.1080/00319104.2024.2325119","url":null,"abstract":"Using the first-principles density functional theory calculations, we examined the effect of uniaxial strain on the electronic and magnetic properties of full-Heusler alloy N2SrRb. Our results show...","PeriodicalId":20094,"journal":{"name":"Physics and Chemistry of Liquids","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140044415","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electrical property-selective noncovalent dispersion of carbon nanotubes by poly(perylene diimide-thiophene): a molecular dynamics study 聚（过二亚胺-噻吩）对碳纳米管的电特性选择性非共价分散：分子动力学研究
IF 1.2 4区 化学
Physics and Chemistry of Liquids Pub Date : 2024-03-04 DOI: 10.1080/00319104.2024.2324449
Yiming Lei, Xianbao Duan, Lu Cai
{"title":"Electrical property-selective noncovalent dispersion of carbon nanotubes by poly(perylene diimide-thiophene): a molecular dynamics study","authors":"Yiming Lei, Xianbao Duan, Lu Cai","doi":"10.1080/00319104.2024.2324449","DOIUrl":"https://doi.org/10.1080/00319104.2024.2324449","url":null,"abstract":"Thiophene polymers have been widely used to selectively disperse semiconducting single-walled carbon nanotubes (sc-SWNTs). Important questions concern the influence of the solvent on the adsorbabil...","PeriodicalId":20094,"journal":{"name":"Physics and Chemistry of Liquids","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140037189","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Parameterization of the IEF PCM model for calculating solvation energies in N-methylpyrrolidone solution 计算 N-甲基吡咯烷酮溶液中溶解能的 IEF PCM 模型参数化
IF 1.2 4区 化学
Physics and Chemistry of Liquids Pub Date : 2024-02-25 DOI: 10.1080/00319104.2024.2321623
Alexander S. Bobkov, Yuliya A. Orlyuk, Olesya P. Vitovskaya, Nadezhda M. Vitkovskaya
{"title":"Parameterization of the IEF PCM model for calculating solvation energies in N-methylpyrrolidone solution","authors":"Alexander S. Bobkov, Yuliya A. Orlyuk, Olesya P. Vitovskaya, Nadezhda M. Vitkovskaya","doi":"10.1080/00319104.2024.2321623","DOIUrl":"https://doi.org/10.1080/00319104.2024.2321623","url":null,"abstract":"Theoretical modelling of N-methylpyrrolidone (NMP) solutions, using a polarisable continuum model (IEFPCM), has been carried out with the aim to find the optimal value of a model parameter, a so-ca...","PeriodicalId":20094,"journal":{"name":"Physics and Chemistry of Liquids","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139981073","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Study on the molecular interactions of binary mixtures of allyl alcohol with isomeric amyl alcohol solvents through thermodynamic properties and FT-IR spectra and correlation with the Jouyban–Acree model 通过热力学性质和傅立叶变换红外光谱研究烯丙基醇与异构戊醇溶剂二元混合物的分子相互作用以及与朱伊班-阿克里模型的相关性
IF 1.2 4区 化学
Physics and Chemistry of Liquids Pub Date : 2024-02-14 DOI: 10.1080/00319104.2024.2310510
E. Ramanjaneyulu, Shaik Mubeena, Meenakshi B, M. Gowri Sankar, Ramachandran D
{"title":"Study on the molecular interactions of binary mixtures of allyl alcohol with isomeric amyl alcohol solvents through thermodynamic properties and FT-IR spectra and correlation with the Jouyban–Acree model","authors":"E. Ramanjaneyulu, Shaik Mubeena, Meenakshi B, M. Gowri Sankar, Ramachandran D","doi":"10.1080/00319104.2024.2310510","DOIUrl":"https://doi.org/10.1080/00319104.2024.2310510","url":null,"abstract":"Excess molar volume, excess isentropic compressibility, deviation in viscosity and excess Gibbs free energy for activation of viscous flow for binary mixtures of allyl alcohol (AA) with 2-methyl-2-...","PeriodicalId":20094,"journal":{"name":"Physics and Chemistry of Liquids","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139764568","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Calculation of phase diagram and the thermodynamic quantities by the Landau mean field model close to the solid – liquid and solid – solid transitions in n-paraffins 通过朗道平均场模型计算正石蜡中接近固-液和固-固转变的相图和热力学量
IF 1.2 4区 化学
Physics and Chemistry of Liquids Pub Date : 2024-02-13 DOI: 10.1080/00319104.2024.2314539
Hamit Yurtseven, Ozlem Tari
{"title":"Calculation of phase diagram and the thermodynamic quantities by the Landau mean field model close to the solid – liquid and solid – solid transitions in n-paraffins","authors":"Hamit Yurtseven, Ozlem Tari","doi":"10.1080/00319104.2024.2314539","DOIUrl":"https://doi.org/10.1080/00319104.2024.2314539","url":null,"abstract":"We calculate the phase diagrams and predict the temperature dependence of the thermodynamic quantities at high pressures for the solid – liquid and solid – solid transitions in n-paraffins. This ca...","PeriodicalId":20094,"journal":{"name":"Physics and Chemistry of Liquids","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139764542","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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