Search scope:
排序: Display mode:
Application of quantum chemical descriptors into quantitative structure-property relationship models
Yueping BAO, Qiuying HUANG, Wenlong WANG, Jiangjie XU, Fan JIANG, Chenghong FENG
Frontiers of Environmental Science & Engineering 2011, Volume 5, Issue 4, Pages 505-511 doi: 10.1007/s11783-011-0318-2
Keywords: photolysis polychlorinated biphenyls (PCBs) quantitative structure-property relationships (QSPRs) quantum
Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2, Pages 152-167 doi: 10.1007/s11705-021-2060-z
Keywords: molecular property quantum mechanics quantitative structure-property relationship heat of reaction
Davoud BEIKNEJAD,Mohammad Javad CHAICHI
Frontiers of Environmental Science & Engineering 2014, Volume 8, Issue 5, Pages 683-692 doi: 10.1007/s11783-014-0680-y
Keywords: dye photolysis half-life quantitative structure-property relationship continuous-flow stepwise multiple
Modeling process-structure-property relationships for additive manufacturing
Wentao YAN, Stephen LIN, Orion L. KAFKA, Cheng YU, Zeliang LIU, Yanping LIAN, Sarah WOLFF, Jian CAO, Gregory J. WAGNER, Wing Kam LIU
Frontiers of Mechanical Engineering 2018, Volume 13, Issue 4, Pages 482-492 doi: 10.1007/s11465-018-0505-y
This paper presents our latest work on comprehensive modeling of process-structure-property relationshipsTo illustrate the process-structure relationship, the multi-scale multi-physics process modeling startsTo link structure and properties, a high-efficiency mechanistic model, self-consistent clustering analyses
Keywords: additive manufacturing thermal fluid flow data mining material modeling
Latest advances in ionic liquids promoted synthesis and application of advanced biomass materials
Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 7, Pages 798-816 doi: 10.1007/s11705-023-2316-x
Keywords: biomass materials functional materials ionic liquids synthesis structure-property relationship
Engineering the Thermoelectrical Properties of PEDOT:PSS by Alkali Metal Ion Effect Article
Jingjin Dong, Jian Liu, Xinkai Qiu, Ryan Chiechi, L. Jan Anton Koster, Giuseppe Portale
Engineering 2021, Volume 7, Issue 5, Pages 647-654 doi: 10.1016/j.eng.2021.02.011
Engineering the electrical properties of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) holds great potential for various applications such as sensors, thermoelectric (TE) generators, and hole transport layers in solar cells. Various strategies have been applied to achieve optimal electrical properties, including base solution post-treatments. However, the working mechanism and the exact details of the structural transformations induced by base post-treatments are still unclear. In this work, we present a comparative study on the post-treatment effects of using three common and green alkali base solutions: namely LiOH, NaOH, and KOH. The structural modifications induced in the film by the base post-treatments are studied by techniques including atomic force microscopy, grazingincidence
wide-angle X-ray scattering, ultraviolet–visible–near-infrared spectroscopy, and attenuated total reflectance Fourier-transform infrared spectroscopy. Base-induced structural modifications are responsible for an improvement in the TE power factor of the films, which depends on the basic solution used. The results are explained on the basis of the different affinity between the alkali cations and the PSS chains, which determines PEDOT dedoping. The results presented here shed light on the structural reorganization occurring in PEDOT:PSS when exposed to high-pH solutions and may serve as inspiration to create future pH-/ion-responsive devices for various applications.
Keywords: PEDOT:PSS Thermoelectric properties Alkali base solutions Post-treatment Structure-property relationship
Wang Dianzuo,Yao Guocheng
Strategic Study of CAE 2011, Volume 13, Issue 3, Pages 4-11
Keywords: mineral processing flotation reagents structure and property molecular design
Effects of Structure of Opening Hole in Gas Distributor on Drying Property for Fluidized Bed Drier
Liu Wei,Tang Wencheng
Strategic Study of CAE 2006, Volume 8, Issue 2, Pages 47-50
The gas distributor, as an important part of fluidized bed drier, can directly affect the drying propertyFor comparing the hydromechanics and heat transfer property of inert particles fluidized bed drier betweenThe experimental results show that the structure of opening hole in gas distributor has a dual effect
Keywords: gas distributor structure with opening hole inert particles fluidized bed drying property
Classifying multiclass relationships between ASes using graph convolutional network
Frontiers of Engineering Management Pages 653-667 doi: 10.1007/s42524-022-0217-1
Keywords: autonomous system multiclass relationship graph convolutional network classification algorithm Internet topology
Frontiers of Environmental Science & Engineering 2021, Volume 15, Issue 5, doi: 10.1007/s11783-021-1394-6
• Effect of converting ozonation to E-peroxone was studied on pharmaceutical removal.
Keywords: Ozone Electro-peroxone Wastewater Quantitative structure activity relationship Advanced oxidation
Frontiers of Environmental Science & Engineering 2023, Volume 17, Issue 6, doi: 10.1007/s11783-023-1676-2
● A novel framework integrating quantile regression with machine learning is proposed.
Keywords: Driver-response Upper boundary of relationship Interpretable machine learning Quantile regression Total phosphorus Chlorophyll a
Property-performance relationship of core-shell structured black TiO photocatalyst for environmental
Frontiers of Environmental Science & Engineering 2023, Volume 17, Issue 9, doi: 10.1007/s11783-023-1711-3
● Properties and performance relationship of CSBT photocatalyst were investigated.
Keywords: Black TiO2 Core-shell structure Property-performance relationship Agro-industrial effluent
Predictive models on photolysis and photoinduced toxicity of persistent organic chemicals
Qing ZHANG
Frontiers of Environmental Science & Engineering 2013, Volume 7, Issue 6, Pages 803-814 doi: 10.1007/s11783-013-0547-7
Keywords: quantitative structure-activity relationship (QSAR) models photodegradation persistent organic pollutants
Ning Zhang, Xiang Liu, Rui Liu, Tao Zhang, Miao Li, Zhuoran Zhang, Zitao Qu, Ziting Yuan, Hechun Yu
Frontiers of Environmental Science & Engineering 2019, Volume 13, Issue 1, doi: 10.1007/s11783-019-1099-2
Reclaimed water threatens the ecological safety of the Chaobai River. SMX, TMP, and SDZ were the first three abundant antibiotics in the research area. SRGs and intI1 were widespread with high abundance after reclaimed water recharge. The SRGs values followed the sequence: Summer>autumn>spring>winter. Strong correlations were detected between SRGs and environmental factors.
Keywords: Sulfonamide residues Sulfonamide resistance genes Reclaimed water recharge Surface water Class one integrons
Erratum to: Using pyrosequencing and quantitative PCR to analyze microbial communities
Husen ZHANG
Frontiers of Environmental Science & Engineering 2011, Volume 5, Issue 3, Pages 488-488 doi: 10.1007/s11783-011-0342-2
Title Author Date Type Operation
Application of quantum chemical descriptors into quantitative structure-property relationship models
Yueping BAO, Qiuying HUANG, Wenlong WANG, Jiangjie XU, Fan JIANG, Chenghong FENG
Journal Article
A computational toolbox for molecular property prediction based on quantum mechanics and quantitativestructure-property relationship
Journal Article
Estimation of photolysis half-lives of dyes in a continuous-flow system with the aid of quantitativestructure-property relationship
Davoud BEIKNEJAD,Mohammad Javad CHAICHI
Journal Article
Modeling process-structure-property relationships for additive manufacturing
Wentao YAN, Stephen LIN, Orion L. KAFKA, Cheng YU, Zeliang LIU, Yanping LIAN, Sarah WOLFF, Jian CAO, Gregory J. WAGNER, Wing Kam LIU
Journal Article
Latest advances in ionic liquids promoted synthesis and application of advanced biomass materials
Journal Article
Engineering the Thermoelectrical Properties of PEDOT:PSS by Alkali Metal Ion Effect
Jingjin Dong, Jian Liu, Xinkai Qiu, Ryan Chiechi, L. Jan Anton Koster, Giuseppe Portale
Journal Article
A dream of flotation reagents—study on relationship between structure and property of flotation reagents
Wang Dianzuo,Yao Guocheng
Journal Article
Effects of Structure of Opening Hole in Gas Distributor on Drying Property for Fluidized Bed Drier
Liu Wei,Tang Wencheng
Journal Article
Identification of resistant pharmaceuticals in ozonation using QSAR modeling and their fate in electro-peroxone process
Journal Article
Approaching the upper boundary of driver-response relationships: identifying factors using a novel framework
Journal Article
Property-performance relationship of core-shell structured black TiO photocatalyst for environmental
Journal Article
Predictive models on photolysis and photoinduced toxicity of persistent organic chemicals
Qing ZHANG
Journal Article
Influence of reclaimed water discharge on the dissemination and relationships of sulfonamide, sulfonamide
Ning Zhang, Xiang Liu, Rui Liu, Tao Zhang, Miao Li, Zhuoran Zhang, Zitao Qu, Ziting Yuan, Hechun Yu
Journal Article