Initial Supersaturation Research Articles

Packing properties assessment of cement and alternative powders: Artefacts and protocols

This paper introduces three major recommendations for the assessment of the maximum packing fraction of mineral powders through compressive rheology. First, our results show that a minimum compressive stress is required for the measured solid volume fraction to tend towards a constant jamming fraction. Second, we show that the modification of the particles surface properties, especially their friction coefficient, by polymer adsorption, allows for this jamming fraction to get closer to the particle maximum packing fraction. Finally, we show that a minimal value of the initial solid volume fraction of a sample is necessary to prevent particle size separation during testing. We moreover show that the measured jamming fraction depends on the initial solid volume fraction of cement-based samples. We suggest that such a peculiar behavior finds its origin in the dependency of early hydrates volume or morphology on the initial supersaturation.

Effects of the concentration of seeds, finite time-dependent supersaturations, and viscosity on the crystallization kinetics of monosodium urate monohydrate.

Although the crystallization of monosodium urate monohydrate (MSUM) has a crucial role in the occurrence of gout, which is an inflammatory arthritis disease, theoretical models have not been able to describe all features observed in its seeded growth kinetics. In contrast to previous modeling approaches, we show that our model can reproduce qualitative features typically observed in experiments. In particular, our results show that the higher the initial supersaturation and the lower the viscosity, the faster the crystallization kinetics, and they also indicate that there are distinct growth regimes for low and high concentrations of seeds. In this work, we introduce an alternative approach based on a master equation that allows us to incorporate hypotheses for the seeded growth crystallization of MSUM in a more transparent way. Such an approach includes not only effects that are related to the finite time-dependent supersaturation and concentration of seeds, but it can also be used to determine how the viscosity of the solution can affect the crystallization kinetics of MSUM molecules.

Nucleation kinetics of reactive crystallization of ammonium di-uranate

ABSTRACT The reactive crystallisation of ammonium di-uranate (NH4U2O7) from uranyl nitrate (UO2 (NO3)2) and ammonia (NH3) is a key process in the nuclear fuel cycle towards uranium-bearing fuel preparation. However, the process kinetics and mechanism remain poorly understood and the modelling of the reactive crystallisation of NH4U2O7(ADU) is not available. Hence, this work aims to determine the kinetics and mechanisms of the nucleation and growth of ADU through induction time measurements by comparing sonochemical and conventional precipitation methods. Induction was measured as functions of initial supersaturation starting from S = 1.07 to S = 1.875 and in a temperature range of 30 °C to 80 °C. The solubility data of ADU were also found experimentally. The trends in the experimental data suggest that two nucleation mechanisms co-exist: heterogeneous and homogeneous nucleation at low and high supersaturations respectively. Due to acoustic cavitation of the ultrasound prompting micromixing, the induction time is markedly reduced in the sonochemical route owing to the reduction of the energy barrier for nucleation. The induction time data were also analysed to calculate the interfacial energy (γ) and other parameters including the radius of the critical nucleus (r*), critical free energy of the nucleus (ΔG*) and nucleation rate (J). Determination of nucleation kinetics gives us insights into the fundamentals of the ADU crystallisation process for control and optimisation. Highlights: Nucleation kinetics of the reactive crystallisation of ADU was studied through classical nucleation theory Induction time data with supersaturation are interpreted by classical nucleation theory and different crystallisation kinetic parameters were determined Homogeneous and heterogeneous nucleation was determined from the correlation A comparison of sonochemical and conventional precipitation shows that in the sonochemical route, the nucleation happens at lower supersaturation with lower induction time because of much lower activation energy requirement All the model data gives us an insight into the crystallisation kinetics to optimise and control the crystallisation process of ADU

Amorphous solid dispersions in high-swelling, low-substituted hydroxypropyl cellulose for enhancing the delivery of poorly soluble drugs

Amorphous solid dispersions (ASDs) based on water-insoluble hydrophilic polymers can sustain supersaturation in their kinetic solubility profiles (KSPs) compared to soluble carriers. However, in the limit of very high swelling capacity, the achievable extent of drug supersaturation has not been fully examined. This study explores the limiting supersaturation behavior of ASDs of poorly soluble indomethacin (IND) and posaconazole (PCZ) based on a high-swelling excipient, low-substituted hydroxypropyl cellulose (L-HPC). Using IND as a reference, we showed that the rapid initial supersaturation buildup in the KSP of IND ASD can be simulated through sequential IND infusion steps, however at large times the KSP of IND release from ASD appears more sustained than direct IND infusion. This has been attributed to potential trapping of seed crystals generated in the L-HPC gel matrix thus limiting their growth and rate of desupersaturation. Similar result is also expected in PCZ ASD. Furthermore, the current drug loading process for ASD preparation resulted in the agglomeration of L-HPC based ASD particles, producing granules of up to 300–500 µm (cf. 20 µm individual particle), with distinct kinetic solubility profiles. This feature makes L-HPC particularly suitable as ASD carriers for fine tuning of supersaturation to achieve enhanced bioavailability for poorly soluble drugs.

Numerical modeling of faceted crystal growth using a lattice Boltzmann-phase field model with a new interfacial energy function

A lattice Boltzmann-phase field model is proposed to study faceted crystal growth in a supersaturated solution, taking into account a new anisotropic interfacial energy function to reproduce the facet characteristics. In this model, a flow field solver and a concentration field solver are coupled with the phase field equation to study faceted crystal growth with fluid convection and solute transfer. Qualitative and quantitative comparisons are carried out with the experimental observation and theoretical analysis of snowflakes to demonstrate the validity and accuracy of the present numerical method. Then crystallization of sodium chloride in a supersaturated solution is investigated in a 3D space at a constant temperature. The results show that the initial supersaturation, solute depletion rate, and solution flow can greatly change the faceted crystal growth by affecting solute transport and distribution. The mechanism of the formation of morphologies and interface velocity evolution is studied and concluded, which shows that the present model has instructional significance for studying and understanding the regulation mechanism of faceted crystal growth.

Ultrasound assisted seed preparation and subsequent application for desupersaturation of calcium sulphate as a measure for scaling control

To increase the water recovery from brine for zero liquid discharge (ZLD) desalination system, precipitation of salts and its subsequent removal is one of the desired solutions to prevent the scaling of heat exchanger or membrane surfaces, which leads to improved operation. Present work focuses on synthesis of better-quality calcium sulphate seed crystals using different strategies based on different initial sources, varying reagent concentration, washing with different solvents, varying the aging period and also providing ultrasound (US) at different stages of synthesis. It was elucidated that using only US at optimized conditions of 100 W US power, 70% duty cycle and 2 h irradiation time could reduce the supersaturation from 2.05 to 1.33 at 60 °C. Use of only seeding under optimized conditions required 4 h for reducing supersaturation from 2.02 to 1.21. The combination of US with the seeds synthesized at optimized condition resulted in the complete elimination of the supersaturation i.e. from the initial supersaturation of 2.02 to final of 1.03. Better desupersaturation is attributed to the increased nucleation rate and crystal growth by the synergy of US and seeding. Overall, an effective approach based on the combination of US and seeding for the desupersaturation of CaSO4 has been demonstrated.

Multi‐object optimization study on the performance of gas cyclones based on heterogeneous condensation and turbulent agglomeration

AbstractImproving the separation efficiency of fine particles becomes more and more critical as environmental pollution aggravates. This study aims to investigate the effects of four key parameters on the performance of gas cyclones, including cyclone body height, particle concentration, initial supersaturation degree, and inlet temperature. Then, the two‐way coupling numerical model, in which is the process of heterogeneous condensation and agglomeration for insoluble fine particles, was achieved by user defined function. On this basis, the response surface analysis method and multi‐objective genetic algorithm were adopted to optimize the cyclone. The results show that when the particle concentration is less than 1000 mg/m3, the separation efficiency can reach above 95%. The initial supersaturation degree has the greatest effect on the separation efficiency and vapour consumption rate, while the cyclone body height is the most critical factor on the pressure drop. As the particle concentration increases, the separation efficiency decreases at first and then keeps almost stable. With the increase of inlet temperature, the separation efficiency is enhanced, and the pressure drop reduces. These research results can provide important guidance for the optimization and engineering application of this technology.

Supersaturation maintenance of carvedilol and chlorthalidone by cyclodextrin derivatives: Pronounced crystallization inhibition ability of methylated cyclodextrin

Cyclodextrin (CD) is used to solubilize poorly water-soluble drugs by inclusion complex formation. In this study, we investigated the effect of CD derivatives on stabilizing the supersaturation by inhibiting the crystallization of two poorly water-soluble drugs, carvedilol (CVD) and chlorthalidone (CLT). The phase solubility test showed that β-CD and γ-CD derivatives enhanced the solubility of CVD to a greater extent, whereas the solubility of CLT was enhanced more by β-CD derivatives. The solubilization efficacy of CD derivatives was dependent on the size fitness between the drug molecule and the CD cavity. In the drug crystallization induction time measurement, the same initial drug supersaturation ratio (S) was employed in all the CD solutions, and the methylated CD derivatives greatly outperformed unmethylated CD derivatives in stabilizing the supersaturation of both CVD and CLT. The crystallization inhibition strength of CD derivatives was strongly affected by the CD derivative substituent. Moreover, the calculated logarithm of octanol/water partition coefficients (log P) of CD derivatives showed a good correlation with drug crystallization inhibition ability. Thus, the high hydrophobicity of methylated CD plays an essential role in inhibiting crystallization. These findings can provide a valuable guide for selecting appropriate stabilizing agents for drug-supersaturation formulations.

Design and mechanism of agglomeration of aspirin crystals in pure solvents

Agglomeration with improved flowability for platy crystals is desirable in pharmaceutical downstream processing. The formation of agglomerates in pure solvents without the aid of bridging liquids is a convenient and low-cost method compared with complex spherical crystallization. In this work, the adhesion free energies between aspirin crystals in six solvents were calculated using Lifshitz-van der Waals acid-base theory to screen suitable solvents for agglomeration. The maximum stirring rate for agglomeration was determined by adhesion forces and dispersion forces. Then the agglomerates of plate-shaped aspirin were successfully prepared in acetone, methanol, ethanol, 2-propanol, and ethylene glycol without additives by simple cooling crystallization. The interactions between solvent and crystal surfaces were also used to explain the outcomes. A feasible mechanism for the agglomeration process of platy crystals was elucidated, involving the adhesion of dominant crystal facets at the beginning. The effect of stirring rate, cooling rate, and initial supersaturation on agglomeration degree and particle size of aspirin agglomerates were studied. The obtained aspirin agglomerates under the optimal conditions exhibited a uniform particle size distribution, a high agglomeration degree, and superior flowability.

Experimental evidence of the effect of solute concentration on the collective evolution of bubbles in a regular pore-network

The dissolution of bubbles confined in porous media is relevant to applications such as carbon sequestration and soil remediation. Recent numerical work indicates that a rich variety of collective dissolution behaviors can be obtained depending on the initial solute concentration, the size distribution of bubbles and the structure of the porous network. However, there is only sparse experimental evidence that supports these findings. Here, we present an experimental study that uses optical microscopy to track the dissolution of CO2 bubbles in a two-dimensional porous network etched on a microfluidic chip filled with CO2–saturated water. We consider two distinct level of initial liquid supersaturation for situations involving a single isolated bubble and small bubble clusters, and observe dissolution, growth or a combination of these processes. A pore-network model is used to complement the experimental observations with information on local concentration development. The model captures qualitatively the evolution of the bubble size in each case tested experimentally and enables shedding light on the interplay between the inter- and intra-pore diffusive fluxes in driving the dissolution process.

Asymmetrical Dependence of {Ba2+}:{SO4 2-} on BaSO4 Crystal Nucleation and Growth in Aqueous Solutions: A Dynamic Light Scattering Study.

The impact of solution stoichiometry, upon formation of BaSO4 crystals in 0.02 M NaCl suspensions, on the development of particle size was investigated using dynamic light scattering (DLS). Measurements were performed on a set of suspensions prepared with predefined initial supersaturation, based on the quotient of the constituent ion activity product {Ba2+}{SO4 2-} over the solubility product K sp (Ωbarite = {Ba2+}{SO4 2-}/K sp = 100, 500, or 1000-11,000 in steps of 1000), and ion activity solution stoichiometries (r aq = {Ba2+}:{SO4 2-} = 0.01, 0.1, 1, 10 and 100), at circumneutral pH of 5.5-6.0, and ambient temperature and pressure. DLS showed that for batch experiments, crystal formation with varying r aq was best investigated at an initial Ωbarite of 1000 and using the forward detection angle. At this Ωbarite and set of r aq, the average apparent hydrodynamic particle size of the largest population present in all suspensions increased from ∼200 to ∼700 nm within 10-15 min and was independently confirmed by transmission electron microscopy (TEM) imaging. Additional DLS measurements conducted at the same conditions in flow confirmed that the BaSO4 formation kinetics were very fast for our specifically chosen conditions. The DLS flow measurements, monitoring the first minute of BaSO4 formation, showed strong signs of aggregation of prenucleation clusters forming particles with a size in the range of 200-300 nm for every r aq. The estimated initial bulk growth rates from batch DLS results show that BaSO4 crystals formed fastest at near-stoichiometric conditions and more slowly at nonstoichiometric conditions. Moreover, at extreme SO4-limiting conditions, barite formation was slower compared to Ba-limiting conditions. Our results show that DLS can be used to investigate nucleation and growth at carefully selected experimental and analytical conditions. The combined DLS and TEM results imply that BaSO4 formation is influenced by solution stoichiometry and may aid to optimize antiscalant efficiency and regulate BaSO4 (scale) formation processes.

Efficient crystallization process of dodecanedioic acid by a pneumatically agitated crystallizer

Dodecanedioic acid (DC12) is mainly prepared via microbial synthesis in industrial production, however, the refined products have many drawbacks, such as low purity, poor crystal size distribution (CSD), and heavily agglomerated character, to name a few. Therefore, the refining process is a crucial step in DC12 preparation by microbial production. In this study, a novel pneumatically agitated crystallizer for DC12 refinery by gassing crystallization was developed. A batch cooling crystallization process was developed, providing the final crystal in 82.0% yield and purity increment to 99.20% at the end of crystallization process. Optimized conditions were determined as the initial supersaturation ratio of 300:3000 (g/mL) and gassing air flow rate of 4 L/min with solution preparation temperature of 85 °C. The crystal products with significantly better morphology characteristics than the starting crude feedstocks, including crystal uniformity and color brightness, were harvested. These obtained results indicated that the pneumatically agitated crystallizer-based crystallization process without any mechanical agitation was a robust and economically feasible technique. To our knowledge, this is also the first DC12 crystallization process with sole gassing agitation for unseeded batch cooling crystallization.

Facilitating carrier separation of hierarchical carbon nitride by a nucleation processable strategy in photocatalytic H2 evolution

The adjustment of hierarchical micro-nanostructure and morphology has been identified as an effective strategy to optimize photocatalytic performance of carbon nitrides (CNs). Nevertheless, environmental and additive-free construction of CNs with hierarchical structures is still challenging. Herein, a nucleation processable strategy is proposed to construct hierarchical CNs with unique morphologies (planar, donuts-like, flower-like), free of harmful additions. In this strategy, nucleation process and crystal growth degree of supramolecular precursors (cyanuric acid-melamine aggregates) can be controlled via tuning the initial supersaturation in the crystallization. Moreover, the formation mechanism of unique morphologies is illustrated in this article, based on the understanding of nucleation and crystal growth. Among the as-prepared CNs, owing to its hierarchical architecture and unique morphology, the flower-like CN0.25 display the optimal charge separation and excellent photocatalytic hydrogen evolution performance of 1880 μmol h−1 g−1, which is 27 times higher than that of the bulk CN. Additionally, the apparent quantum yield of CN0.25 is achieved 6.7% at 420 nm. The experimental results demonstrate that the nucleation processable strategy developed herein may provide a new pathway in the design of hierarchically structured CNs with desirable photocatalytic performance.

Data-Driven Operation Modeling and Optimal Design for Batch Cooling Crystallization with a Case Study on β-LGA

In this paper, a data-driven modeling and optimization method is proposed for batch operation of the cooling crystallization process based on the design of experiments (DoE) in the operation ranges of cooling rate and initial solution supersaturation. The proposed model reflecting a mapping relationship between the manipulated variables of operating conditions and the product crystal size distribution (CSD) is established by two classes of basis functions, one is the wavelet basis function for reshaping the CSD and the other is the polynomial basis function for weighting the chosen wavelet basis functions to reflect the nonlinear relationship between the manipulated variables and the size distribution of product crystals. Meanwhile, a fractional factorial design of DoE is presented to reduce the number of experiments for the above modeling, in comparison with the classical full factorial design. The optimal operating conditions are designed by introducing a comprehensive objective function that combines the information entropy of the product CSD and the ratio of desired product yield with respect to the target crystal size. A particle swarm optimization algorithm with guaranteed convergence is given to solve the nonconvex optimization problem based on the established CSD prediction model. Simulation studies and experiments on the batch seeded β-form L-glutamic acid (LGA) crystallization process are conducted to demonstrate the effectiveness and advantage of the proposed method.

The effect of surface wettability on calcium carbonate precipitation in packed beds

Multiphase flow processes taking place in Carbon Capture Utilization and Storage (CCUS) processes are accompanied by scale deposits which increase operational cost and reduce efficiency of processes. Over the years, the effect of several parameters, including pH, temperature, initial supersaturation ratio, (SRi), with respect to calcium carbonate phase, the presence of foreign substances and solid substrates etc. on the prevalent mechanisms of scale, was investigated. Scale formation from fluids is in principle heterogeneous and may be affected by surface wettability. In the present work, for the first time, calcium carbonate precipitation was investigated in beds, packed with hydrophilic and hydrophobic of 1.5 mm diameter sphere at SRi values equal to 537, 222 and 86. Homogeneously hydrophobic and hydrophilic, and fractionally wet beds were tested. Solutions supersaturated with respect to calcium carbonate in the absence and in the presence of n-dodecane were injected into the columns. Except for solutions with SRi=537, with respect to calcite, where spontaneous precipitation prevailed, in the absence of n-dodecane, precipitation rates and the total mass of calcium carbonate precipitate, for the same time, were lower in the case of hydrophobic beds. In the presence of oil-water interfaces, for similar SRi values, hydrophobicity resulted in higher total mass of calcium carbonate precipitate, in comparison with the respective precipitated in the hydrophilic beds. Fractional wettability affected fluid flow and the precipitation process. In the absence of n-dodecane, the total calcium at the outflow curve lied in between the corresponding curves of the hydrophobic and the hydrophilic beds. In the presence of oil-water interfaces, fractional wettability resulted in the formation of shells consisting of small calcite crystals surrounding the hydrophobic spheres, while larger crystals were formed on the hydrophilic spheres. This study reveals the importance of pore surface wettability, its homogeneity and distribution on the formation of calcium carbonate scale during the flow of supersaturated solutions with respect to calcite and in the presence of oil/water interfaces created after oil displacement.

Opioid antagonism in humans: a primer on optimal dose and timing for central mu-opioid receptor blockade

Non-human animal studies outline precise mechanisms of central mu-opioid regulation of pain, stress, affiliation and reward processing. In humans, pharmacological blockade with non-selective opioid antagonists such as naloxone and naltrexone is typically used to assess involvement of the mu-opioid system in such processing. However, robust estimates of the opioid receptor blockade achieved by opioid antagonists are missing. Dose and timing schedules are highly variable and often based on single studies. Here, we provide a detailed analysis of central opioid receptor blockade after opioid antagonism based on existing positron emission tomography data. We also create models for estimating opioid receptor blockade with intravenous naloxone and oral naltrexone. We find that common doses of intravenous naloxone (0.10–0.15 mg/kg) and oral naltrexone (50 mg) are more than sufficient to produce full blockade of central MOR (>90% receptor occupancy) for the duration of a typical experimental session (~60 min), presumably due to initial super saturation of receptors. Simulations indicate that these doses also produce high KOR blockade (78–100%) and some DOR blockade (10% with naltrexone and 48–74% with naloxone). Lower doses (e.g., 0.01 mg/kg intravenous naloxone) are estimated to produce less DOR and KOR blockade while still achieving a high level of MOR blockade for ~30 min. The models and simulations form the basis of two novel web applications for detailed planning and evaluation of experiments with opioid antagonists. These tools and recommendations enable selection of appropriate antagonists, doses and assessment time points, and determination of the achieved receptor blockade in previous studies.

Monitoring and digital design of the cooling crystallization of a high-aspect ratio anticancer drug using a two-dimensional population balance model

• Morphological population balance model developed for a commercial API. • Novel parameter estimation including FBRM data enhanced the robustness of the model. • Model was used for in silico investigation and digital design of temperature profile. • The simulation revealed strong effect if initial supersaturation of product aspect ratio. • Digital design results validated experimentally resulted in improved product quality. The development of a process model for the batch cooling crystallization of an anticancer drug from Takeda Pharmaceuticals is presented. The compound forms needle-like crystals that exhibit significant variation in shape (aspect ratio) during the crystallization. The parameters of a two-dimensional population balance model were fit using experimental concentration, particle size, shape, and relative number density information. The benefits of including focused beam reflectance measurement data in the parameter estimation to significantly enhance the robustness of the model are demonstrated. A new formulation of the parameter estimation optimization problem was used with augmented objective function and constraints to achieve improved convergence. The model was used for in silico experimentations to determine the achievable particle shape space in a broad batch time domain and for the digital design of the optimal operating temperature. The results were validated experimentally providing improved product quality in terms of size distribution and smaller aspect ratio.

H2S release rate strongly affects particle size and settling performance of metal sulfides in acidic wastewater: The role of homogeneous and heterogeneous nucleation

Sulfide precipitation is an extensively used method to precipitate metal and arsenic from acidic wastewater, whereas the tiny and negatively-charged metal sulfides with poor settling performance are generated. The factors and mechanisms that influence particle size and settling performance remain unclear. Herein, the effects of sulfuration factors, e.g., reagent dosage, acidity and H2S release rate on the particle size and settling performance of metal sulfides were investigated, and involved mechanisms were systematically revealed. The results showed that the reagent dosage and acidity had a limited effect on particle size and settling performance while the H2S release rate played a critical role. Under homogeneous conditions, the decrease in H2S release rate, which can reduce the initial supersaturation and supply the sustainable supersaturation, increased the particle size of metal sulfides generated using Na2S solution. Under heterogeneous conditions, the decrease in H2S release rate further increased the particle size of metal sulfides generated using low-solubility CaS/FeS and further improved settling performance, in which heterogeneous nucleation played a crucial role besides supersaturation. The developed dissolution-diffusion-growth model qualitatively explained the negative relationship between H2S release rate and particle growth. This work provides implications for improving the settling performance of metal sulfides in acidic wastewater.

Cobalt hydroxide–cobalt carbonate competitive growth on carbonate surfaces

The presence of mineral surfaces can affect the outcome of geochemical reactions by providing alternative nucleation pathways, but not in ways that can yet be reliably quantified. In this work, the reaction of Co(II) with calcite (CaCO3) and magnesite (MgCO3) powders at room temperature was used to quantify the effects of the nature of the mineral substrate and of solution chemistry on the competitive heterogeneous growth between cobalt carbonate (CoCO3) and cobalt hydroxide (Co(OH)2). Experiments were first performed to determine the appropriate solubility product constants of CoCO3 and Co(OH)2, for which several values have been reported in the literature. X-ray photoelectron spectroscopy measurements were then performed to quantify the relative proportion of each phase in surface precipitates as a function of the nature of the substrate, initial saturation level, and pH. Scanning electron microscopy and energy-dispersive X-ray spectroscopy were also used to characterize the morphology and composition of surface precipitates. On calcite powders, Co(OH)2 formed predominantly despite the initial solutions being more supersaturated with respect to CoCO3 than to Co(OH)2, indicating that the kinetics of heterogenous growth were faster for Co(OH)2 than for CoCO3. In contrast, magnesite powders were much more favorable to the growth of CoCO3 because of the low lattice mismatch between the two phases, which allowed for heteroepitaxial growth. However, the proportion of CoCO3 in surface precipitates decreased with increasing initial supersaturation, likely due to the resulting decrease of the free energy barrier for Co(OH)2 nucleation and the rapid kinetics of Co(OH)2 growth. Lowering pH increased the proportion of CoCO3 on both substrates. These findings highlight how the interplay between lattice mismatch, heterogeneous nucleation barriers, and rates of heterogenous growth can influence competitive heterogeneous growth and dramatically affect the outcome of geochemical reactions.

Numerical modelling of equiaxed dendritic growth with sedimentation in the melt of binary alloys by using an anisotropic lattice Boltzmann-phase field model

An anisotropic lattice Boltzmann-phase field (LB-PF) model is developed to simulate the equiaxed dendritic growth with sedimentation in the melt of binary alloys under the effect of gravity. In present model, the anisotropic lattice Boltzmann scheme is applied to solve the phase field equation describing the evolution of dendritic morphologies, while the finite volume scheme is employed to solve the advection–diffusion equation of solute with anti-trapping current. The multiple-relaxation-time lattice Boltzmann scheme is employed to compute the complex melt flow. Validity of the present model is demonstrated by the quantitative agreement between the references and simulations of circular particle sedimentation, while the shape preservation performance is verified by the simulations of non-deformation dendrite movement. Then, the effects of solid–liquid density ratio, initial supersaturation and preferred crystallographic orientation on the growth and sedimentation behaviour of a single equiaxed dendrite in the supersaturated melt of binary alloys are numerically investigated. Moreover, the growth and sedimentation process of dendrites with multiple nuclei is successfully simulated. The results demonstrate that the present model has great application potential in the simulations of dendritic growth with sedimentation of binary alloys, which has important instructional significance for regulating the microscopic dendritic morphologies during solidification, and further improving the macroscopic mechanical properties of final components.