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Theoretical insights into influence of additives on sulfamethoxazole crystal growth kinetics and mechanisms

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 10,   Pages 1503-1515 doi: 10.1007/s11705-022-2294-4

Abstract: In this work, the influence of the initial chemical potential gradient, stirring speed, and polymer type on sulfamethoxazole (SMX) crystal growth kinetics was systematically investigated through density functional theory (DFT) calculations, experimental measurements and the two-step chemical potential gradient model. To investigate the influence of different conditions on the thermodynamic driving force of SMX crystal growth, SMX solubilities in different polymer solutions were studied. Four model polymers effectively improved SMX solubility. It was further found that polyvinylpyrrolidone (PVP) and hydroxypropyl methyl cellulose (HPMC) played a crucial role in inhibiting SMX crystal growth. However, polyethylene glycol (PEG) promoted SMX crystal growth. The effect of the polymer on the crystal growth mechanisms of SMX was further analyzed by the two-step chemical potential gradient model. In the system containing PEG 6000, crystal growth is dominated by the surface reaction. However, in the system containing PEG 20000, crystal growth is dominated by both the surface reaction and diffusion. In addition, DFT calculations results showed that HPMC and PVP could form strong and stable binding energies with SMX, indicating that PVP and HPMC had the potential ability to inhibit SMX crystal growth.

Keywords: insoluble drugs     polymer     inhibition crystallization     crystal growth kinetics     DFT calculations    

Design of bio-oil additives via molecular signature descriptors using a multi-stage computer-aided molecular

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 168-182 doi: 10.1007/s11705-021-2056-8

Abstract: Direct application of bio-oil from fast pyrolysis as a fuel has remained a challenge due to its undesirable attributes such as low heating value, high viscosity, high corrosiveness and storage instability. Solvent addition is a simple method for circumventing these disadvantages to allow further processing and storage. In this work, computer-aided molecular design tools were developed to design optimal solvents to upgrade bio-oil whilst having low environmental impact. Firstly, target solvent requirements were translated into measurable physical properties. As different property prediction models consist different levels of structural information, molecular signature descriptor was used as a common platform to formulate the design problem. Because of the differences in the required structural information of different property prediction models, signatures of different heights were needed in formulating the design problem. Due to the combinatorial nature of higher-order signatures, the complexity of a computer-aided molecular design problem increases with the height of signatures. Thus, a multi-stage framework was developed by developing consistency rules that restrict the number of higher-order signatures. Finally, phase stability analysis was conducted to evaluate the stability of the solvent-oil blend. As a result, optimal solvents that improve the solvent-oil blend properties while displaying low environmental impact were identified.

Keywords: computer-aided molecular design     bio-oil additives     molecular signature descriptor    

EFFECT OF EXOGENOUS ADDITIVES ON HEAVY METAL PASSIVATION AND NITROGEN RETENTION IN PIG MANURE COMPOSTING

Frontiers of Agricultural Science and Engineering doi: 10.15302/J-FASE-2023487

Abstract:

● Research on heavy metal passivation and nitrogen emissions is necessary for the pig industry.

Keywords: additives     composting     heavy metals passivation     nitrogen retention     pig manure    

Influences of additives on the crystal habit of potassium chloride

Xiaofu GUO, Junsheng YUAN, Zhiyong JI, Min SU,

Frontiers of Chemical Science and Engineering 2010, Volume 4, Issue 1,   Pages 78-81 doi: 10.1007/s11705-009-0300-8

Abstract: By means of constant control speed cooling crystallization, the influences of four additives, includingThe results show that the crystal habit of KCl is cube without additives, the crystal habit of KCl isX-ray diffractometry analysis reveals that these additives can change the crystal habit of KCl but not

Keywords: cadmium chloride     salicylate     presence     crystallization     diffractometry analysis    

Enhancing thermostability of -mannanase by protective additives

LIU Zhaohui, QI Wei, WU Weina, LIU Yue, HE Zhimin

Frontiers of Chemical Science and Engineering 2008, Volume 2, Issue 4,   Pages 439-442 doi: 10.1007/s11705-008-0062-8

Abstract: reaction temperatures of -mannanase and the thermodynamics and the deactivation kinetics with or without additivesMeanwhile, the protective mechanism of the additives against deactivation of enzyme was also discussed

Keywords: protective additive     g/L     orthogonal experimental     combination additive     corresponding    

Chemical additives affect sulfate reducing bacteria biofilm properties adsorbed on stainless steel 316L

Yu Qi,Jin Li,Rui Liang,Sitong Ji,Jianxiang Li,Meng Liu

Frontiers of Environmental Science & Engineering 2017, Volume 11, Issue 2, doi: 10.1007/s11783-017-0917-7

Abstract: (SRB) on stainless steel 316L (SS316L) surface in circulating cooling water system with and without additivesshows that the corrosion potential of SS316L was enhanced from −0.495 V to −0.390 V by the chemical additivesThis study would provide some recommendations for the selection of chemical additives in the thermal

Keywords: Sulfate reducing bacteria (SRB)     Chemical additives     Biofilm     Extracellular polymeric substance (EPS)     Microbe    

Effect of mineral additives and permeability reducing admixtures having different action mechanisms on

Frontiers of Structural and Civil Engineering 2021, Volume 15, Issue 5,   Pages 1277-1291 doi: 10.1007/s11709-021-1752-2

Abstract: different action mechanisms on hardened state properties of cementitious systems containing mineral additives

Keywords: cementitious system     mineral additive     permeability reducing admixture     mechanical properties     durability performance    

Preparation and properties of nano SiO2 core-shell structured additives and their nanocomposite with

KE Yangchuan, SUN Mingzhuo, SONG Yanxin, YANG GuangFu

Frontiers of Chemical Science and Engineering 2007, Volume 1, Issue 1,   Pages 76-80 doi: 10.1007/s11705-007-0016-6

Abstract: To improve the performance of traditional nucleation additives and their compatibility with other additives

Keywords: deformation coefficient     distortion temperature     excellent     NPP0-PP     traditional nucleation    

Effect of PEG additives on properties and morphologies of polyetherimide membranes prepared by phase

Jian CHEN, Jiding LI, Xia ZHAN, Xiaolong HAN, Cuixian CHEN,

Frontiers of Chemical Science and Engineering 2010, Volume 4, Issue 3,   Pages 300-306 doi: 10.1007/s11705-009-0280-8

Abstract: This study investigated the effect of poly(ethylene glycol) (PEG) additive as a pore-former on the structure formation of membranes and their permeation properties connected with the changes in thermodynamic and kinetic properties in the phase inversion process. The membranes were prepared by using polyetherimide/-methyl-2-pyrrolidone/PEG (PEI/NMP/PEG) casting solution and water coagulant. The resulting membranes, prepared by changing the ratio of PEG to PEI, were characterized by scanning electron microscope (SEM) observations, measurements of water flux and -globin rejection. The thermodynamic and kinetic properties of the membrane-forming system were studied through viscosity. The pore radius distribution curves were especially obtained by differential scanning calorimetry (DSC). Furthermore, the membranes were characterized for pure water flux and rejection of solute and by SEM observation. The filtration results agreed well with the SEM observations. As expected, PEG with a fixed molecular weight (PEG 600) acted as a pore forming agent, and membrane porosity increased as the PEG content of the casting solution increased.

Keywords: permeation     ethylene     filtration     PEI/NMP/PEG     membrane    

Oilfield Chemical Additives in Drilling: Current Applications & Development Trend

Liu Rushan,Su Changming

Strategic Study of CAE 2002, Volume 4, Issue 5,   Pages 88-92

Abstract:

This paper summarizes the current research and applications of oil field chemical additives in drillingFor the development trend of oilfield chemical additives, it is, guided by new oilfield chemistry theory

Keywords: oil field additives     drilling & completion fluid     reservoir protectiori     multifunctional polymers    

Promoting Si-graphite composite anodes with SWCNT additives for half and NCM811 full lithium ion batteries

Jingning SHAN, Xiaofang YANG, Chao YAN, Yiguang JU, Lin CHEN, Fang ZHAO

Frontiers in Energy 2019, Volume 13, Issue 4,   Pages 626-635 doi: 10.1007/s11708-019-0650-y

Abstract: Single wall carbon nanotube (SWCNT) additives were formulated into µm-Si-graphite composite electrodes) was used to illustrate the electrode morphology, compositions and promoting function of the SWCNT additives

Keywords: lithium-ion battery     Si anode     Si-graphite composite     single wall carbon nanotube (SWCNT)     NCM811    

Technologies for Pipelining High-Pour-Point and Viscous Crudes and Their Development

Zhang Jinjun

Strategic Study of CAE 2002, Volume 4, Issue 6,   Pages 71-76

Abstract:

More than 80% of crude produced in China are those crudes with poor flowability, either waxy crudes with high pour points or viscous heavy crudes. How to transport these crudes safely and with less energy consumption has been a topic for research and development to the petroleum pipeline industry in China, and significant technology development has been made in the past over 40 years, typically the pour-point depressant (PPD) technology for waxy crudes. Flow characteristics of these two kinds of crude and the mechanism for their poor flowability are briefly introduced. The up-to-date research and application of technologies for pour point depression and drag reduction in crude pipelining are summarized, including the PPD technology for waxy crudes, and the dilution pipelining, the oil-in-water emulsion technology and the core annular flow technology for heavy crudes. Development tendency for these technologies is discussed. Suggestions are made to further studies. It is expected that the PPD technology will continue to be a dominant technology for pipelining waxy crudes safely and with less energy-consumption.

Presently in China, studies on the PPD technology should be focused on the highly-waxy Daqing crude oil, which accounts for about one third of total crude oil production in China. For heavy crude oil pipelining, it is believed that the oil-in-water emulsion technology will find more application, and exploitation of offshore heavy crude oil fields in the Bohai Sea of China urgently requires that study on this technology be aimed at pipelines concurrently transporting heavy crude oil and produced water. Further updating of existing technologies and emerging of new technologies call for enhanced basic research, innovative ideas and approaches, and multi-disciplinary studies.

Keywords: pipelining     paraffin-base crude     heavy crude     pour point depression     drag reduction     chemical additives    

Characterization and comparison of organic functional groups effects on electrolyte performance for vanadium redox flow battery

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 9,   Pages 1221-1230 doi: 10.1007/s11705-023-2298-8

Abstract: The vanadium redox flow battery with a safe and capacity-controllable large-scale energy storage system offers a new method for the sustainability. In this case, acetic acid, methane sulfonic acid, sulfonic acid, amino methane sulfonic acid, and taurine are used to overcome the low electrolyte energy density and stability limitations, as well as to investigate the effects of various organic functional groups on the vanadium redox flow battery. When compared to the pristine electrolyte (0.22 Ah, 5.0 Wh·L–1, 85.0%), the results show that taurine has the advantage of maintaining vanadium ion concentrations, discharge capacity (1.43 Ah), energy density (33.9 Wh·L–1), and energy efficiency (90.5%) even after several cycles. The acetic acid electrolyte is more conducive to the low-temperature stability of the V(II) electrolyte (177 h at −25 °C) than pristine (82 h at −2 °C). The –SO3H group, specifically the coaction of the –NH2 and –SO3H groups, improves electrolyte stability. The –NH2 and –COOH additive groups improved conductivity and electrochemical activity.

Keywords: vanadium redox flow battery     functional groups     organic additives     energy density     stability    

Recent advances toward high voltage, EC-free electrolytes for graphite-based Li-ion battery

Tong Zhang, Elie Paillard

Frontiers of Chemical Science and Engineering 2018, Volume 12, Issue 3,   Pages 577-591 doi: 10.1007/s11705-018-1758-z

Abstract: This review covers electrolyte compositions, with the widespread use of additives, the change in main

Keywords: lithium-ion     electrolyte     solid electrolyte interphase     additives     high voltage     graphite    

Additives effects on crystallization and morphology in a novel caustic aluminate solution decomposition

Ying ZHANG, Shili ZHENG, Yifei ZHANG, Hongbin XU, Yi ZHANG

Frontiers of Chemical Science and Engineering 2009, Volume 3, Issue 1,   Pages 88-92 doi: 10.1007/s11705-009-0133-5

Abstract: In this research, effects of additives on the crystallization ratio, secondary particle size and morphologyOn the basis of primary selection of additives, an orthogonal design L9(3 ) was used as a chemometricmethod to investigate the effects of additives.The studied parameters include the reaction style, quantity of additives, caustic soda concentration,However, the additives had little effects on the crystallization ratios.

Keywords: additive     crystallization     morphology     caustic aluminate solution     aluminium hydroxide    

Title Author Date Type Operation

Theoretical insights into influence of additives on sulfamethoxazole crystal growth kinetics and mechanisms

Journal Article

Design of bio-oil additives via molecular signature descriptors using a multi-stage computer-aided molecular

Journal Article

EFFECT OF EXOGENOUS ADDITIVES ON HEAVY METAL PASSIVATION AND NITROGEN RETENTION IN PIG MANURE COMPOSTING

Journal Article

Influences of additives on the crystal habit of potassium chloride

Xiaofu GUO, Junsheng YUAN, Zhiyong JI, Min SU,

Journal Article

Enhancing thermostability of -mannanase by protective additives

LIU Zhaohui, QI Wei, WU Weina, LIU Yue, HE Zhimin

Journal Article

Chemical additives affect sulfate reducing bacteria biofilm properties adsorbed on stainless steel 316L

Yu Qi,Jin Li,Rui Liang,Sitong Ji,Jianxiang Li,Meng Liu

Journal Article

Effect of mineral additives and permeability reducing admixtures having different action mechanisms on

Journal Article

Preparation and properties of nano SiO2 core-shell structured additives and their nanocomposite with

KE Yangchuan, SUN Mingzhuo, SONG Yanxin, YANG GuangFu

Journal Article

Effect of PEG additives on properties and morphologies of polyetherimide membranes prepared by phase

Jian CHEN, Jiding LI, Xia ZHAN, Xiaolong HAN, Cuixian CHEN,

Journal Article

Oilfield Chemical Additives in Drilling: Current Applications & Development Trend

Liu Rushan,Su Changming

Journal Article

Promoting Si-graphite composite anodes with SWCNT additives for half and NCM811 full lithium ion batteries

Jingning SHAN, Xiaofang YANG, Chao YAN, Yiguang JU, Lin CHEN, Fang ZHAO

Journal Article

Technologies for Pipelining High-Pour-Point and Viscous Crudes and Their Development

Zhang Jinjun

Journal Article

Characterization and comparison of organic functional groups effects on electrolyte performance for vanadium redox flow battery

Journal Article

Recent advances toward high voltage, EC-free electrolytes for graphite-based Li-ion battery

Tong Zhang, Elie Paillard

Journal Article

Additives effects on crystallization and morphology in a novel caustic aluminate solution decomposition

Ying ZHANG, Shili ZHENG, Yifei ZHANG, Hongbin XU, Yi ZHANG

Journal Article