A Thermodynamic Model for the Solubility Prediction of Barite, Calcite, Gypsum, and Anhydrite, and the Association Constant Estimation of CaSO<sub>4</sub><sup>(0)</sup> Ion Pair up to 250 °C and 22000 psi

Dai, Zhaoyi; Kan, Amy T.; Zhang, Fangfu; Tomson, Mason B.

doi:10.1021/je5008873

Cited by 56 publications

(25 citation statements)

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“…The activity coefficients of aqueous ions have been estimated by a variety of methods including Debye-Huckel (DH) equation, Davis equation, TJ equation, Robinson-Stokes equation, Guggenheim equations, specific ion interaction (SIT) theory, and Pitzer theory [13,17,29,45,62,65]. In a recent paper, Dai et al [15] gave a thorough discussion on the effort to systematically model the virial coefficients used in Pitzer theory with a selected set of calcite, barite, gypsum and anhydrite solubility data over wide ranges of temperature, pressure, and IS with mixed electrolytes over wide ranges of temperature and pressure using the genetic algorithm in MATLAB for optimization. Using a similar approach, we have re-examined all available thermodynamic data for self-consistency and revised the code further with more data and an improved model.…”

Section: Methodsmentioning

confidence: 99%

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Scale Prediction and Control at Ultra HTHP

Kan

Dai

Zhang

et al. 2015

SPE International Symposium on Oilfield Chemistry

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Production from deepwater environment often encounter ultra high temperature, pressure (ultra HTHP) and with more exotic fluid compositions. Most scale prediction programs were developed by semiempirically modeling the thermodynamic parameters using experimentally measured mineral solubilities and other chemical properties. However, the experimental data were limited at temperature, pressure, and ionic strength that were clearly below that typically encountered in deepwater production. Therefore, extending the existing thermodynamic models to HTHP applications is of questionable accuracy. Furthermore, the partitioning of H 2 O, CO 2 , and H 2 S in and out of the gas/oil phases during production can have a significant impact on scaling tendency. The authors have published papers on experimental solubility measurements and thermodynamic modeling to extend the solubility data to HTHP condition. The new thermodynamic parameters and a flash calculator that integrate the latest development of Equation of State (EOS) to model the partition of H 2 O, CO 2 , and H 2 S in hydrocarbon/aqueous phases at temperature and pressure have been incorporated into a scale prediction software that is specifically tailored for oil and gas production application.The objective of this paper is to validate the software's application range with a set of critically evaluated peer-reviewed mineral solubility data for general oilfield produced water and deepwater HTHP application. A total of 73 selected papers and more than 2,500 individual experimental data points were included in this evaluation. Our model has been shown to be applicable to greater than 95% of produced water compositions with SI prediction of better than Ϯ0.03 for halite, Ϯ0.05 for gypsum, Ϯ0.1 for calcite and anhydrite, and Ϯ0.2 for barite at temperature between 32 -500°F, and and pressure between 14.7 to 22,000 psia. The newly incorporated flash calculator is capable of predicting how CO 2 , H 2 S, and H 2 O partition in and out of the gas phase during production. The partitioning of CO 2 , H 2 S, and H 2 O between the hydrocarbon and aqueous phases has significantly changed the ion composition and pH and therefore, impacted the scaling tendency of the fluids at the production temperature and pressure. This is a particularly important issue for newer wells with high volumes of gas and low water cuts and for CO 2 flooding.

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Section: Methodsmentioning

confidence: 99%

“…In the systems containing 2-2 electrolytes (e.g. Ba-SO 4 , Ca-SO 4 , Ca-CO 3 ), possible existence of corresponding ion pairs can significantly impact the free ion activities [15].…”

Section: Validation Of Scaling Tendency Predictionmentioning

confidence: 99%

Scale Prediction and Control at Ultra HTHP

Kan

Dai

Zhang

et al. 2015

SPE International Symposium on Oilfield Chemistry

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“…Uma das formas de verificar se ocorrerá ou não a precipitação da calcita se procede através da avaliação do seu índice de saturação (SI)medida do afastamento da solubilidade. Na literatura, destacam-se os trabalhos de Dai et al, (2014), Shi et al, (2013) e Shi et al, (2012, em que os autores calcularam o SI através da atividade das espécies em solução. Para uma solução aquosa de eletrólitos fortes, recomendase o cálculo da atividade pela abordagem de Pitzer (Plummer et al, 1988;Dai et al, 2014, Shi et al,2013.…”

Section: Introductionunclassified

“…Na literatura, destacam-se os trabalhos de Dai et al, (2014), Shi et al, (2013) e Shi et al, (2012, em que os autores calcularam o SI através da atividade das espécies em solução. Para uma solução aquosa de eletrólitos fortes, recomendase o cálculo da atividade pela abordagem de Pitzer (Plummer et al, 1988;Dai et al, 2014, Shi et al,2013. Essa abordagem também é empregada em programas computacionais que exploram a formação de incrustação e depósitos, e.g., Multiscale e SCALE2000.…”

Section: Introductionunclassified

“…Vale mencionar, que outro fator que afeta o cálculo do SI são os valores das constantes de dissociação do ácido carbônico (K1 e K2) e da constante de equilíbrio da calcita ( 3 ). Assim sendo, destaca-se o trabalho de Li e Duan (2007), em que os autores propuseram um modelo para o cálculo dessas constantes -o modelo vem sendo aplicado com sucesso em diversos trabalhos, como os de Shi et al , (2012), Shi et al, (2013 e Dai et al, (2014). Adicionalmente, Kharaka et al (1988) propuseram uma correlação para correção das referidas constantes cinéticas em função da temperatura e pressão, que foi satisfatoriamente validada.…”

Section: Introductionunclassified

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Modelagem Da Solubilidade Do Carbonato De Cálcio Em Condições Do Pré-Sal

Fernandes¹,

Nariyoshi²,

Meneguelo³

et al. 2018

Blucher Chemical Engineering Proceedings

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Von Ionen zu Kristallen: Neue Einblicke die nicht‐klassische Keimbildung von Calciumsulfat

Kellermeier,

Scheck,

Drechsler

et al. 2024

Angewandte Chemie

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After years of intensive research and numerous important observations, our understanding of the early stages of crystallization is still limited due to the complexity of the underlying processes and their elusive character. In the present work, we provide a detailed view on the nucleation of calcium sulfate mineralization – an abundant mineral with broad use in construction industry – in aqueous systems at ambient conditions. As experimental basis, a co‐titration procedure with potentiometric, turbidimetric and conductometric detection was developed, allowing solution speciation and the formation of crystallization precursors to be monitored quantitatively as the level of nominal (super)saturation gradually increases. The nature and spatiotemporal evolution of these precursors was further elucidated by time‐resolved small‐angle X‐ray scattering (SAXS) and analytical ultracentrifugation (AUC) experiments, complemented by cryogenic transmission electron microscopy (cryo‐TEM) as a direct imaging technique. The results reveal how ions associate into nanometric primary species, which subsequently aggregate and develop anisotropic order by intrinsic structural reorganization. Our observations challenge the common understanding of fundamental notions such as the nucleation barrier or the meaning of supersaturation, with broad implications for mineralization phenomena in general and the formation of calcium sulfate in geochemical settings and industrial applications in particular.

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A Thermodynamic Model for the Solubility Prediction of Barite, Calcite, Gypsum, and Anhydrite, and the Association Constant Estimation of CaSO₄⁽⁰⁾ Ion Pair up to 250 °C and 22000 psi

Cited by 56 publications

References 58 publications

Scale Prediction and Control at Ultra HTHP

Scale Prediction and Control at Ultra HTHP

Modelagem Da Solubilidade Do Carbonato De Cálcio Em Condições Do Pré-Sal

Von Ionen zu Kristallen: Neue Einblicke die nicht‐klassische Keimbildung von Calciumsulfat

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A Thermodynamic Model for the Solubility Prediction of Barite, Calcite, Gypsum, and Anhydrite, and the Association Constant Estimation of CaSO4(0) Ion Pair up to 250 °C and 22000 psi

Cited by 56 publications

References 58 publications

Scale Prediction and Control at Ultra HTHP

Scale Prediction and Control at Ultra HTHP

Modelagem Da Solubilidade Do Carbonato De Cálcio Em Condições Do Pré-Sal

Von Ionen zu Kristallen: Neue Einblicke die nicht‐klassische Keimbildung von Calciumsulfat

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A Thermodynamic Model for the Solubility Prediction of Barite, Calcite, Gypsum, and Anhydrite, and the Association Constant Estimation of CaSO₄⁽⁰⁾ Ion Pair up to 250 °C and 22000 psi