JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2014
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IF 2.045
Wenjie Cong,Qiuxiang Yin,Junbo Gong,Ying Bao,Meijing Zhang,Hongxun Hao,Baohong Hou,Yuhong Guo,Chuang Xie
Ternary phase diagram data of 1,2-dihydroacenaphthylene-dibenzofuran mixtures in a series of alcohols, including methanol, ethanol, propan-2-ol, propan-1-ol, butan-1-ol, and pentan-1-ol were measured using a dynamic method at 308.15 and 313.15 K. The experimental data were correlated with the Wilson model (including pseudobinary systems), UNIQUAC model, and NRTL model. The results indicate that pseudobinary systems with the Wilson equation give a better description of the solubility of the ternary system. The eutectic point shifts toward dibenzofuran when the more polar methanol and ethanol are used. This shift may help achieve a more efficient separation of 1,2-dihydroacenaphthylene and dibenzofuran.
研究领域:
化学工程
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物理化学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2016
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IF 1.835
Ye Li,Lei Zhong,Weisong Li,Long Zhang,Xubin Zhang,Chunjian Xu,Wangfeng Cai
The isobaric vapor–liquid equilibrium (VLE) data for nine binary systems of cracking C5 fraction including n-pentane + cyclopentane, n-pentane + cyclopentene, isopentane + 2-methyl-2-butene, isopentane + cyclopentene, cyclopentane + 2-methyl-2-butene, cyclopentane + cyclopentene, cyclopentane + isoprene, isoprene + 2-methyl-2-butene, isoprene + cyclopentene at 250 kPa have been measured using a VLE recirculating still. All of the experimental data were checked with the Herington thermodynamic consistency test, which showed thermodynamic consistency. The experimental VLE data were correlated with the Wilson, nonrandom two-liquid (NRTL) and universal quasichemical (UNIQUAC) activity coefficient models. The results show that the calculated values of the vapor-phase mole fraction and boiling temperature by the Wilson, NRTL, and UNIQUAC models agree well with the experimental data. The ideal liquid model was also used to compare with experimental data, which showed a few small differences which indicated the small deviations of these systems from the ideal liquid. The universal quasichemical functional group activity coefficients (UNIFAC) model was also used to predict the VLE data for these systems, which agree well with the experimental data, except cyclopentane + isoprene system which shows a little bigger deviation.
研究领域:
化学工程
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热力学
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产品关联
DOI
高影响因子
FLUID PHASE EQUILIBRIA
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2014
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IF 2.241
Hao Li,Shuqian Xia,Peisheng Ma,Fangyou Yan,Zhen Yang,Yang Li
Bio-oil, derived from biomass flash pyrolysis, has been recognized as an important renewable resource for resolving the current energy crisis. However, the pyrolysis oil consists of complicated composition and has some undesired properties, including acidity, relatively high viscosity, limited thermal stability, low heating value, which hinder the direct application of bio-oil. So, separation and purification of the pyrolysis oil are important and the phase equilibrium data of the bio-fuel related mixtures is essential for the design and simulation of the processes. In this context, isobaric vapor–liquid equilibrium (VLE) data for the three binary mixtures in the pyrolysis oil, toluene + anisole, n-butylbenzene + anisole, and guaiacol + anisole, have been measured at 101.33 kPa by a modified Rose–Williams still. All of the experimental VLE data were checked by the Herington analysis method and were verified the thermodynamic consistency. No azeotropic behavior was observed in the three binary systems. The measured data were well correlated by the non-random two-liquid (NRTL), universal quasi-chemical activity coefficient (UNIQUAC), and Wilson model, respectively. The corresponding parameters for the three models were obtained. The average absolute deviations of the temperature and the vapor compositions correlated by the three models for all the systems are below 0.55 K and 0.019, respectively.
研究领域:
化学工程
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可再生能源
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产品关联
DOI
高影响因子
FLUID PHASE EQUILIBRIA
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2017
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IF 2.473
Jun Wang,Jie Ou,Xueni Sun,Chunxiang Huang,Jiarui Sun,Hui Shao,Yixin Leng
Isobaric vapour–liquid equilibrium (VLE) data for binary systems containing o-cresol (OC) + m-cresol (MC), OC + 2, 6-dimethylphenol (DMP), and MC + DMP at 20.0 kPa were measured by using a modified Othmer still. Its reliability was confirmed by measuring the saturated vapour pressure data for the components of MC and DMP. Herington area test was used to confirm the thermodynamic consistency for these binary systems, and the results showed good thermodynamic consistency. The binary VLE experimental data were correlated and predicted by Wilson, NRTL, and UNIFAC models. The results correlated by Wilson and NRTL models agree well with the experimental values. The results predicted by UNIFAC are in accordance with experimental data with rational deviations for systems OC + MC and OC + DMP but show relatively large deviations between the predicted values and experimental data for MC + DMP system. By defining the group =COH in DMP and MC as two different groups, the experimental data were correlated, and new groups with binary interaction parameters were obtained. The results calculated by UNIFAC with new defining groups are in accordance with the experimental data.
研究领域:
化学工程
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热力学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2022
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IF 3.119
Mengyang Guo,Ye Jiang,Yonghong Li,Yanyu Wei,Hanxi Li
The isobaric vapor–liquid equilibria (VLE) of two binary mixtures (adiponitrile + 2-methylglutaronitrile and adiponitrile + trans-3-pentenenitrile) at 5 and 10 kPa were measured using a modified Rose–Williams still. The thermodynamic consistency of the VLE data was tested by the Wisniak method and the Fredenslund method. The isobaric VLE data were correlated with four activity coefficient models of Margules, van Laar, Wilson, and NRTL, and the parameters of the models were obtained by the ordinary least-squares method. The isobaric VLE data were compared with the original UNIFAC predictive model. Furthermore, the excess Gibbs free energy of studied mixtures was determined. The RMST and RMSy1 were determined to evaluate the regression results. The results show that the Wilson model has a better correlation effect than other models.
研究领域:
化学工程
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热力学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2025
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IF 2.1
Yajun Li,Aoxiang Xu,Jili Zheng,Xianhe Deng,Can Hu,Jun Zhu,Kui Wu
Diludine and its derivatives are important precursors widely employed in the design and synthesis of dihydropyridine calcium channel blocker (CCB) drugs. The solid–liquid-phase equilibrium data and dissolution properties of diludine can provide fundamental thermodynamic data for the synthesis, separation, and further study of CCBs in the industry as well as the academic arena. The solubility of diludine in 16 pure solvents, including eight alcohols, three ketones, three esters, toluene, and acetonitrile from 272.15 to 323.65 K under atmospheric pressure, was measured using the gravimetric method. The solid–liquid equilibrium curve of diludine indicated an increasing trend with an increase in the temperature. The solvent polarity is a critical factor influencing the solubility behavior, but it is not the only one. Four thermodynamic models (i.e., the modified Apelblat model, λh model, NRTL model, and Wilson model) were used to correlate the solubility data. The Wilson model showed the most satisfactory agreement. Furthermore, the dissolution thermodynamic properties (ΔdisS, ΔdisH, and ΔdisG) of diludine in selected solvents were estimated on the basis of thermodynamic relations and the regressed Wilson model.
研究领域:
药物化学
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化学热力学
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药物合成
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物理化学
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分离科学
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DOI
高影响因子
BMC INFECTIOUS DISEASES
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2022
·Vol. 22
·期 1
·1-12
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IF 3.667
An Qingyu,Wu Jun,Meng Jun,Zhao Zhijie,Bai Jin Jian,Li Xiaofeng
Background Acquired immunodeficiency syndrome (AIDS) is a malignant infectious disease with high mortality caused by HIV (human immunodeficiency virus, and up to now there are no curable drugs or effective vaccines. In order to understand AIDS’s development trend, we establish hybrid EMD-BPNN (empirical modal decomposition and Back-propagation artificial neural network model) model to forecast new HIV infection in Dalian and to evaluate model’s performance. Methods The monthly HIV data series are decomposed by EMD method, and then all decomposition results are used as training and testing data to establish BPNN model, namely BPNN was fitted to each IMF (intrinsic mode function) and residue separately, and the predicted value is the sum of the predicted values from the models. Meanwhile, using yearly HIV data to established ARIMA and using monthly HIV data to established BPNN, and SARIMA (seasonal autoregressive integrated moving average) model to compare the predictive ability with EMD-BPNN model. Results From 2004 to 2017, 3310 cases of HIV were reported in Dalian, including 101 fatal cases. The monthly HIV data series are decomposed into four relatively stable IMFs and one residue item by EMD, and the residue item showed that the incidence of HIV increases firstly after declining. The mean absolute percentage error value for the EMD-BPNN, BPNN, SARIMA (1,1,2) (0,1,1) 12 in 2018 is 7.80%, 10.79%, 9.48% respectively, and the mean absolute percentage error value for the ARIMA (3,1,0) model in 2017 and 2018 is 8.91%. Conclusions The EMD-BPNN model was effective and reliable in predicting the incidence of HIV for annual incidence, and the results could furnish a scientific reference for policy makers and health agencies in Dalian.
研究领域:
流行病学
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生物统计学
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传染病学
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公共卫生
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计算生物学
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医学预测建模
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2025
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IF 2.1
Fengzhi Li,Wangfeng Cai,Yang Xiao,Yujie Yao,Yan Wang
Vapor–liquid equilibrium (VLE) data for the acetophenone (AP) and 1-phenylethanol (1-PE) binary system were measured at 3.00, 5.00, 10.00, and 15.00 kPa by using a modified Rose–Williams distiller. The thermodynamic consistency of the experimental data was verified through the Fredenslund test and Van Ness test. The data were correlated using the NRTL, UNIQUAC, and Wilson models, with root-mean-square deviations (RMSDs) for vapor composition (y1) and equilibrium temperature (T) calculated. The findings suggest that the NRTL, Wilson, and UNIQUAC models are appropriate for use in this system.
研究领域:
化学工程
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热力学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2017
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IF 2.323
Huanhuan Sun,Cheng Liu,Zhongfeng Geng,Yang Lu,Yixuan Chen
In this article, isobaric vapor–liquid equilibrium (VLE) data for three binary systems of acetaldehyde + ethanol, acetaldehyde + ethyl acetate, and acetaldehyde +1-butanol were determined using a modified Rose–Williams equilibrium still at 101.3 kPa. The experimental data were confirmed by the area method of Herington and point-to-point method of Van Ness. Activity coefficient models, Wilson, NRTL, and UNIQUAC were employed to correlate the experimental VLE values. Both models showed a good agreement and the binary interaction parameters were estimated.
研究领域:
化学工程
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物理化学
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产品关联
DOI
高影响因子
SENSORS AND ACTUATORS B-CHEMICAL
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2025
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IF 7.7
Yue-Yang Zhang,Le-Yu Huang,Huiling Wang,Sixuan Meng,Fei Yang,Shi-Yu Liu
Carboxylesterase 2 (CES2), an extensively expressed serine esterase which widely distributed in various organs and tissues, exerts important roles in maintaining normal physiological function while abnormal expression of CES2 was correlated with many metabolic diseases and cancers. Thus, to develop efficient tool for detection of CES2 activity is of great importance in related clinical diagnosis and research of physiological function of CES2. To date, several enzyme-activated fluorescent probes were developed for CES2 sensing. Among which regulation of CES2 in diseases such as diabetics, colitis, cancers and liver injury could be visualized. However, even though CES2 displayed relatively high expression level in kidney, its regulation in pathological process of kidney injury was rarely studied, and thus related preliminary investigation is in urgent demand. Herein, by rational design and construction of an enzyme-activated fluorescent probe (named as DDXB ) with high catalytic efficacy, sensitivity and specificity toward CES2, down-regulation of CES2 activity in acetaminophen (APAP)-induced liver injury and dextran sulfate sodium (DSS)-induced colitis model was successfully visualized. Most importantly, aberrant up-regulation of CES2 in streptozotocin (STZ), renal ischemia reperfusion (IR) injury (RIRI) and cisplatin (CDDP)-induced kidney injury model was first revealed via DDXB- based fluorescence imaging and further confirmed by immunohistochemistry (IHC) staining. Thus, preliminary evidence for identifying CES2 as potential biomarker of kidney injury were first provided, and the newly developed probe could serve as an efficient tool for related diagnosis or further investigation of CES2 physiological function in more diseases.
研究领域:
生物化学
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医学诊断
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病理学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2018
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IF 2.631
Jiahao Pan,Xiangjun Li,Wujie Zhang,Wei Cui,Zhihong Zhou,Dianhua Liu
Isobaric vapour-liquid equilibrium (VLE) data for the binary systems of ethyl iodide with ethanol, propionic acid and ethyl propionate at 101.3 kPa were measured in an Ellis equilibrium still, and the thermodynamic consistency of the experimental data was checked by the Herington area method and Van Ness method. The non-random two-liquid (NRTL), universal quasichemical (UNIQUAC), and Wilson models were applied to correlate the measured VLE data. All three models represent the experimental values quite well. The system (ethyl iodide + ethanol) presents a minimum azeotropic boiling point at 101.3 kPa, in which the azeotropic temperature and composition are 336.08 K and 63.445 mol% (ethyl iodide). The azeotropic behavior was not found in the other two systems.
研究领域:
化学工程
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热力学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2020
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IF 2.888
Chunhao Guo,Yang Tang,Jinru Wan,Yue Zuo,Yong Wang,Yichang Wang,Xunqiu Wang
The isobaric vapour–liquid equilibrium (VLE) data for the binary system of cyclohexanol + cyclohexylbenzene were determined at (5, 10, 15, 20 and 25) kPa with a dynamic recirculating apparatus and the temperature ranged from 358.10 K to 456.43 K, and the thermodynamic consistency of the experimental data was checked by the Herington area method and Van Ness method. Afterwards, the experimental data was correlated with NRTL, Wilson and UNIQUAC model, and the corresponding interaction of thermodynamic models of the binary system parameters were obtained through the Aspen software. The results indicated that all three models represent the experimental values quite well, while the NRTL model provided a slightly better result than Wilson model and UNIQUAC model. The maximum root mean square deviation of the temperature and vapour phase mole fraction for the NRTL model was less than 0.4 K and 0.004, respectively.
研究领域:
化学工程
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热力学
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产品关联
DOI
高影响因子
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