Thermodynamic modeling of calcium carbonate scale precipitation: aqueous Na+-Ca2+-Cl–-HCO3–-CO32–-CO2 system

Chen, Tianyu; Honarparvar, Soraya; Reible, Danny D.; Chen, Chau‐Chyun

doi:10.1016/j.fluid.2021.113263

Cited by 12 publications

(5 citation statements)

References 81 publications

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“…While most of the produced water is disposed of via underground injection, a major risk factor for seismic activity in the areas near the disposal well, development of novel technology to treat and reuse high salinity produced water has gained heightened interest. To support development and innovation of these novel treatment processes, a comprehensive thermodynamic model based on the eNRTL model in Aspen Properties has been developed for high salinity brines. − The dominant ionic species in high salinity brines that contribute to the salinity include Na + , K + , Ca 2+ , Mg 2+ , Cl – , and SO 4 2+ . However, the ionic species that cause most of the scaling in the treatment processes are the trace species such as Sr 2 + , Ba 2 + , HCO 3 – , and CO 3 2– .…”

Section: Industrial Applicationsmentioning

confidence: 99%

Electrolyte Thermodynamic Models in Aspen Process Simulators and Their Applications

Wang

Song

Zhang

et al. 2022

Ind. Eng. Chem. Res.

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Electrolyte systems are becoming increasingly important as the process industries transition to better address environmental sustainability and climate change. Industrial processes such as carbon capture and sequestration, brine water treatment, lithium refining, and many others require accurate and rigorous electrolyte thermodynamic models to support process simulation and design of chemical processes involving electrolyte systems. Distinctly different from nonelectrolyte systems, the solution nonideality of electrolyte systems is primarily characterized by the electrolyte solution chemistry and secondly impacted by the subsequent physical interactions and associations of true species in solutions. This Article presents the methodology in Aspen process simulators to address the solution chemistry with true species and apparent component approaches together with the two electrolyte thermodynamic models, Pitzer and Electrolyte Nonrandom Two-Liquid equations. Also covered are experimental data compilation, best practice in data regression, and industrial applications highlighted with CO 2 capture with amine solutions and high salinity brine solutions. We further present our perspectives in current challenges and emerging opportunities with thermodynamic modeling for electrolyte systems with high charge density ions, transport property estimation, and systematic data collection and verification.

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Section: Industrial Applicationsmentioning

confidence: 99%

Electrolyte Thermodynamic Models in Aspen Process Simulators and Their Applications

Wang

Song

Zhang

et al. 2022

Ind. Eng. Chem. Res.

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“…Since the pH of a CO 2 + H 2 O + salt solution is in the range of 2.5 to 4.0, the dissociation reactions between CO 2 and H 2 O are negligible, and therefore, it has been treated as a physical process . For thermodynamic treatment of partial dissociation of CO 2 as a weak electrolyte in aqueous brine solutions, please see the articles of Harvie et al, Kaur and Chen, and Chen et al…”

Section: Thermodynamic Frameworkmentioning

confidence: 99%

Estimating CO₂ Solubility in Aqueous Na⁺–K⁺–Mg²⁺–Ca²⁺–Cl^––SO₄^2– Solutions with Electrolyte NRTL–PC-SAFT Model

2022

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A comprehensive thermodynamic model based on electrolyte nonrandom two-liquid (eNRTL) equation in conjunction with PC-SAFT equation-of-state has been developed for estimating CO 2 solubility in aqueous solutions of NaCl, KCl, MgCl 2 , CaCl 2 , Na 2 SO 4 , K 2 SO 4 , MgSO 4 and their mixtures. The eNRTL binary interaction parameters for CO 2 −electrolyte pairs are regressed using the experimental vapor−liquid equilibrium data for the CO 2 + H 2 O + salt ternary systems in the temperature range of 273.15 to 433.15 K, and pressure up to 71 MPa. The model gives an accurate representation of the phase behavior including the salting-out effect of different electrolytes for CO 2 solubility covering temperatures up to 473.15 K, pressures up to 120 MPa, and salt concentrations up to saturation. With the CO 2 −H 2 O interaction parameters set to zero, and the H 2 O−electrolyte, CO 2 −electrolyte and electrolyte−electrolyte pair interaction parameters identified, the model is capable of accurately estimating CO 2 solubility in aqueous brine solutions without regressing any additional interaction parameters.

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“…Fang et al [9] used a coupled computational fluid dynamics (CFD)-discrete element method to numerically analyze the movement of particles in a fractured fog model to clarify the migration and channel flow control law of particles in fractured porous carbonate reservoirs [12]; de Paula Cosmo et al [11] analyzed the calcium carbonate fouling law in oil and gas field pipeline with high CO 2 content under pseudo-equilibrium conditions by self-developed thermodynamic calculation software [13]; Zhiming et al [12] established a mathematical model of CaSO 4 precipitation fouling formation process in circular pipe from the perspective of heat and mass transfer, and conducted corresponding numerical simulation and experimental validation. Based on the simulated temperature, velocity, and CaSO 4 mass concentration fields in the circular pipe, the deposition rate, exfoliation rate, and thermal resistance of CaSO 4 fouling with time were calculated from this fouling model [14]. Liu et al [13] innovatively combined electrochemical technology and quartz crystal microbalance with dissipation monitoring (QCM-D) in one analytical instrument (EQCM-D).…”

Section: Introductionmentioning

confidence: 99%

“…Liu et al [13] innovatively combined electrochemical technology and quartz crystal microbalance with dissipation monitoring (QCM-D) in one analytical instrument (EQCM-D). EQCM-D to monitor CaCO 3 deposition in real time and provide kinetic details of the CaCO 3 deposition process [15]; Chen et al [14] proposed an integrated thermodynamic model based on the electrolyte nonrandom double liquid activity coefficient equation for analytically accurate calculations of calcium carbonate scaling in highsalinity aquatic waters [16]. Ojaniemi et al [15] developed a CFD model, which takes into account the precipitation tendency of fluid components and the surface properties of materials for calcium phosphate scaling; Ojaniemi et al [15] developed a CFD model, which takes into account the precipitation tendency of fluid components and the surface properties of materials for calcium phosphate scaling; Ojaniemi et al [15] developed a CFD model that takes into account the precipitation tendency of fluid components and the surface properties of materials for calcium phosphate scaling; Ojaniemi et al [15] developed a CFD model that can simulate the precipitation of insoluble minerals due to elevated temperature in the near-surface region of the heated wall based on the saturation ratio.…”

Section: Introductionmentioning

confidence: 99%

Analysis of Fouling Pattern of Tunnel Drainage Pipe in Karst Areas

Lv,

Wu,

et al. 2023

Advances in Civil Engineering

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As the groundwater in karst areas is rich in calcium ions, when the groundwater flows out of the tunnel drainage pipe, calcium carbonate crystals will be precipitated and then adhere to the pipe wall, which will easily cause chemical blockage in the drainage pipe wall, thus affecting the drainage efficiency and leading to the increase of water pressure outside the tunnel lining, affecting the safety and stability of the structure. Therefore, the blockage of calcium carbonate crystals in tunnel drains is one of the most important problems for the safe and normal operation of tunnels. In order to quantify and qualify the process of crystalline blockage in the drainage system of tunnels in karst areas, this paper constructs a numerical model with coupled multiphysical fields of the flow field and particle concentration field and also combines data from indoor tests to compare and verify the simulation results and analyze the time-varying law of crystalline solids deposited on the pipe wall. In this paper, we consider the force situation of crystalline solids in the pipe by water flow, analyze the related theories, comprehensively study the migration and deposition law of crystalline particles in the drainage pipe, and establish a numerical simulation model of the pipe crystallization rate considering temperature, flow velocity and concentration of sediment particles based on ANSYS FLUENT software, and refine and analyze several parameters in the model, so that it can provide a theoretical analysis framework for the tunnel drainage pipe blockage in karst areas by providing a theoretical analysis framework.

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Thermodynamic modeling of calcium carbonate scale precipitation: aqueous Na+-Ca2+-Cl–-HCO3–-CO32–-CO2 system

Cited by 12 publications

References 81 publications

Electrolyte Thermodynamic Models in Aspen Process Simulators and Their Applications

Electrolyte Thermodynamic Models in Aspen Process Simulators and Their Applications

Estimating CO₂ Solubility in Aqueous Na⁺–K⁺–Mg²⁺–Ca²⁺–Cl^––SO₄^2– Solutions with Electrolyte NRTL–PC-SAFT Model

Analysis of Fouling Pattern of Tunnel Drainage Pipe in Karst Areas

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Thermodynamic modeling of calcium carbonate scale precipitation: aqueous Na+-Ca2+-Cl–-HCO3–-CO32–-CO2 system

Cited by 12 publications

References 81 publications

Electrolyte Thermodynamic Models in Aspen Process Simulators and Their Applications

Electrolyte Thermodynamic Models in Aspen Process Simulators and Their Applications

Estimating CO2 Solubility in Aqueous Na+–K+–Mg2+–Ca2+–Cl––SO42– Solutions with Electrolyte NRTL–PC-SAFT Model

Analysis of Fouling Pattern of Tunnel Drainage Pipe in Karst Areas

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Estimating CO₂ Solubility in Aqueous Na⁺–K⁺–Mg²⁺–Ca²⁺–Cl^––SO₄^2– Solutions with Electrolyte NRTL–PC-SAFT Model