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Molecular thermodynamics for scaling prediction: Case of membrane distillation
Separation and Purification Technology ( IF 8.6 ) Pub Date : 2021-07-05 , DOI: 10.1016/j.seppur.2021.119231
Md Rashedul Islam 1 , I-Min Hsieh 1 , Bosong Lin 1 , Amit K. Thakur 1 , Chau-Chyun Chen 1 , Mahdi Malmali 1
Affiliation  

Membrane distillation (MD) for water treatment is significantly impaired by the scaling of dissolved minerals. The type and content of minerals generally measured as total dissolved solids (TDS) in hypersaline brines not only reduce the MD flux but also control the scaling behavior on the membrane surface. The scaling-induced pore blockage further reduces water flux and eventually leads to membrane wetting. The scaling problem is even more pronounced in the treatment of produced water (PW) as it contains 3–7 times higher TDS concentrations, compared to seawater. Theoretically, the necessary conditions for a salt to precipitate can be traced from its solubility product constant and activity of the constituents within the solution. Therefore, a comprehensive thermodynamic model is necessary to represent the electrolyte behavior and to predict the precipitation of different salts in a complex solution like PW. We pursued electrolyte Nonrandom Two Liquid Theory (eNRTL), a state-of-the-art electrolyte model, to address the PW fluid phase equilibria. With a fully parameterized eNRTL model, we predicted salt precipitations in two different PW samples and compared the results against the experimental findings. Furthermore, we forecast the precipitation of salts in response to the change in PW concentration and temperature in the MD operation.



中文翻译:

用于缩放预测的分子热力学:膜蒸馏案例

用于水处理的膜蒸馏 (MD) 受到溶解矿物质结垢的显着影响。矿物质的类型和含量通常以高盐盐水中的总溶解固体 (TDS) 来衡量,不仅降低了 MD 通量,而且还控制了膜表面的结垢行为。结垢引起的孔隙堵塞进一步降低了水通量并最终导致膜润湿。结垢问题在采出水 (PW) 的处理中更为明显,因为与海水相比,它的 TDS 浓度高出 3-7 倍。从理论上讲,盐沉淀的必要条件可以从它的溶度积常数和溶液中成分的活性来追踪。所以,需要一个综合的热力学模型来表示电解质行为并预测复杂溶液(如 PW)中不同盐类的沉淀。我们采用电解质非随机两液体理论 (eNRTL),这是一种最先进的电解质模型,以解决 PW 流体相平衡问题。使用完全参数化的 eNRTL 模型,我们预测了两个不同 PW 样品中的盐沉淀,并将结果与​​实验结果进行了比较。此外,我们预测盐分的沉淀以响应 MD 操作中 PW 浓度和温度的变化。我们预测了两种不同 PW 样品中的盐沉淀,并将结果与​​实验结果进行了比较。此外,我们预测盐分的沉淀以响应 MD 操作中 PW 浓度和温度的变化。我们预测了两种不同 PW 样品中的盐沉淀,并将结果与​​实验结果进行了比较。此外,我们预测盐分的沉淀以响应 MD 操作中 PW 浓度和温度的变化。

更新日期:2021-07-23
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