The liquid state undercoolability and crystal growth kinetics of ternary Ni-5%Cu-5%Sn and Ni-10%Cu-10%Sn alloys are investigated by the glass fluxing method. In these two alloys, experimental maximum undercoolings of ...The liquid state undercoolability and crystal growth kinetics of ternary Ni-5%Cu-5%Sn and Ni-10%Cu-10%Sn alloys are investigated by the glass fluxing method. In these two alloys, experimental maximum undercoolings of 304 K (0.18TL ) and 286K (0.17TL ) are achieved and the dendritic growth velocities attain 39.8 and 25.1 m/s, respectively. The transition of morphology from coarse dendrite into equiaxed structure occurs and the grain size of the a (Ni) phase decreases remarkably when the undercooling increases. Both the lattice constant and microhardness increase obviously with the enhancement of undercooling. The enrichment of Cu and Sn solute contents reduces the dendritic growth velocity, while enhances the lattice constant and microhardness of a (Ni) phase.展开更多
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(D...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.展开更多
The growth kinetics of spherical NiAl and CuZr crystals are studied by using molecular dynamics simulations. The growth rates of crystals are found to increase with the grain radius. The simulations show that the inte...The growth kinetics of spherical NiAl and CuZr crystals are studied by using molecular dynamics simulations. The growth rates of crystals are found to increase with the grain radius. The simulations show that the interface thickness and the Jackson α-faetor increase as the growth proceeds, indicating that the interface becomes increasingly rough during growth. Due to the increasing interface roughening, the fraction of repeatable growth sites at interface f is proposed to actually increase in growth. An attachment rate, which is defined as the fraction of atoms that join the crystal interface without leaving, is used to approximate f, displaying a linear increase. With this approximation, we predict the growth rates as a function of the crystal radius, and the results qualitatively agree with those from the direct simulations.展开更多
Growth kinetics of the most stable polymorph of calcium carbonate,calcite,has been studied in seeded stirred batch experiments in MEG-water solutions at 40 ℃ and 70 ℃,conditions relevant for the processing of natura...Growth kinetics of the most stable polymorph of calcium carbonate,calcite,has been studied in seeded stirred batch experiments in MEG-water solutions at 40 ℃ and 70 ℃,conditions relevant for the processing of natural gas.It was found that MEG changes the growth order from two in pure water to one in solvent mixtures of MEG and water.Assuming parabolic growth (growth order is equal to two),it could be shown that MEG decreases the growth rate constant for calcite from 0.52 nm/s to 0.11 nm/s (70 ℃) when the MEG-content is increased from 0 wt% MEG to 65 wt% MEG.Decreasing the temperature from 70 ℃ to 40 ℃ has a similar effect on the growth rate constant as raising the level of MEG to 65 wt%.展开更多
Crystal morphology is known to be of great importance to the end-use properties of crystal products, and to affect down-stream processing such as filtration and drying. However, it has been previously regarded as too ...Crystal morphology is known to be of great importance to the end-use properties of crystal products, and to affect down-stream processing such as filtration and drying. However, it has been previously regarded as too challenging to achieve automatic closed-loop control. Previous work has focused on controlling the crystal size distribution, where the size of a crystal is often defined as the diameter of a sphere that has the same volume as the crystal. This paper reviews the new advances in morphological population balance models for modelling and simulating the crystal shape distribution (CShD), measuring and estimating crystal facet growth kinetics, and two- and three-dimensional imaging for on-line characterisation of the crystal morphology and CShD. A framework is presented that integrates the various components to achieve the ultimate objective of model-based closed-loop control of the CShD. The knowledge gaps and challenges that require further research are also identified.展开更多
The use of an organic structure-directing agent(OSDA)makes zeolite synthesis expensive and environmentally non-friendly.Seeded zeolite synthesis offers an environmentally benign alternative that avoids using an OSDA w...The use of an organic structure-directing agent(OSDA)makes zeolite synthesis expensive and environmentally non-friendly.Seeded zeolite synthesis offers an environmentally benign alternative that avoids using an OSDA while providing a high purity,crystallinity,and yield in the product.In this study,we report using embryonic zeolites(EZs)as efficient seeds to obtain industrially important zeolites such as ZSM-34 and SSZ-13 in an OSDA-free synthesis system.Our results showed that zeolites ZSM-34,SSZ-13 and LTL could be obtained depending on the Al/Si ratio in the synthesis system.The synthesis time was considerably shorter than other ZSM-34 and SSZ-13 syntheses methods reported in the literature,achieving more than 90%crystallinity.The physicochemical analysis showed that highly crystalline zeolites with characteristics similar to the OSDA synthesized counterparts were obtained.Furthermore,the EZs seeding approach is facile,low cost,and environmentally friendly,pro-vided the synthesis is OSDA-free.In addition,the EZs seeds can be obtained under hydrothermal synthesis conditions.The method can be potentially applied to the synthesis of other zeolite types.展开更多
基金Supported by the National Natural Science Foundation of China under Grant Nos 51327901 and 51301138the Specialized Research Fund for the Doctoral Program of Higher Education under Grant No 20126102120064+1 种基金the Aviation Science Foundation of China under Grant No 2014ZF53069the Fundamental Research Funds for the Central Universities under Grant No3102014KYJD044
文摘The liquid state undercoolability and crystal growth kinetics of ternary Ni-5%Cu-5%Sn and Ni-10%Cu-10%Sn alloys are investigated by the glass fluxing method. In these two alloys, experimental maximum undercoolings of 304 K (0.18TL ) and 286K (0.17TL ) are achieved and the dendritic growth velocities attain 39.8 and 25.1 m/s, respectively. The transition of morphology from coarse dendrite into equiaxed structure occurs and the grain size of the a (Ni) phase decreases remarkably when the undercooling increases. Both the lattice constant and microhardness increase obviously with the enhancement of undercooling. The enrichment of Cu and Sn solute contents reduces the dendritic growth velocity, while enhances the lattice constant and microhardness of a (Ni) phase.
基金This research received funding from the National Natural Science Foundation of China(Grant Nos.22278070,21978047,and 21776046).
文摘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.
基金Supported by the National Natural Science Foundation of China under Grant No 51171027
文摘The growth kinetics of spherical NiAl and CuZr crystals are studied by using molecular dynamics simulations. The growth rates of crystals are found to increase with the grain radius. The simulations show that the interface thickness and the Jackson α-faetor increase as the growth proceeds, indicating that the interface becomes increasingly rough during growth. Due to the increasing interface roughening, the fraction of repeatable growth sites at interface f is proposed to actually increase in growth. An attachment rate, which is defined as the fraction of atoms that join the crystal interface without leaving, is used to approximate f, displaying a linear increase. With this approximation, we predict the growth rates as a function of the crystal radius, and the results qualitatively agree with those from the direct simulations.
基金Supported by the Kjeller MEG Loop II project including support from Aker Solutions,BG Group,Cameron,Chevron,Petrobras,Petronas,Shell,Statoil,Total,Woodsidea grant from the Research Council of Norway under contract 207537/E30
文摘Growth kinetics of the most stable polymorph of calcium carbonate,calcite,has been studied in seeded stirred batch experiments in MEG-water solutions at 40 ℃ and 70 ℃,conditions relevant for the processing of natural gas.It was found that MEG changes the growth order from two in pure water to one in solvent mixtures of MEG and water.Assuming parabolic growth (growth order is equal to two),it could be shown that MEG decreases the growth rate constant for calcite from 0.52 nm/s to 0.11 nm/s (70 ℃) when the MEG-content is increased from 0 wt% MEG to 65 wt% MEG.Decreasing the temperature from 70 ℃ to 40 ℃ has a similar effect on the growth rate constant as raising the level of MEG to 65 wt%.
基金Financial support from the following projects and organisa- tions are acknowledged: the China One Thousand Talent Scheme, the National Natural Science Foundation of China (NNSFC) under its Major Research Scheme of Meso-scale Mechanism and Control in Multi-phase Reaction Processes (project reference: 91434126), the Natural Science Foundation of Guangdong Province (project reference: 2014A030313228), the UK Engineering and Physical Sciences Research Council (EPSRC) for the projects of Shape (EP/C009541) and StereoVision (EP/E045707), and the Technology Strategy Board (TSB) for the project of High Value Manufacturing CGM (TP/BD059E).
文摘Crystal morphology is known to be of great importance to the end-use properties of crystal products, and to affect down-stream processing such as filtration and drying. However, it has been previously regarded as too challenging to achieve automatic closed-loop control. Previous work has focused on controlling the crystal size distribution, where the size of a crystal is often defined as the diameter of a sphere that has the same volume as the crystal. This paper reviews the new advances in morphological population balance models for modelling and simulating the crystal shape distribution (CShD), measuring and estimating crystal facet growth kinetics, and two- and three-dimensional imaging for on-line characterisation of the crystal morphology and CShD. A framework is presented that integrates the various components to achieve the ultimate objective of model-based closed-loop control of the CShD. The knowledge gaps and challenges that require further research are also identified.
文摘The use of an organic structure-directing agent(OSDA)makes zeolite synthesis expensive and environmentally non-friendly.Seeded zeolite synthesis offers an environmentally benign alternative that avoids using an OSDA while providing a high purity,crystallinity,and yield in the product.In this study,we report using embryonic zeolites(EZs)as efficient seeds to obtain industrially important zeolites such as ZSM-34 and SSZ-13 in an OSDA-free synthesis system.Our results showed that zeolites ZSM-34,SSZ-13 and LTL could be obtained depending on the Al/Si ratio in the synthesis system.The synthesis time was considerably shorter than other ZSM-34 and SSZ-13 syntheses methods reported in the literature,achieving more than 90%crystallinity.The physicochemical analysis showed that highly crystalline zeolites with characteristics similar to the OSDA synthesized counterparts were obtained.Furthermore,the EZs seeding approach is facile,low cost,and environmentally friendly,pro-vided the synthesis is OSDA-free.In addition,the EZs seeds can be obtained under hydrothermal synthesis conditions.The method can be potentially applied to the synthesis of other zeolite types.