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A conventional, molal-based Pitzer model for the (H+ – Nd3+ – NO3−){aq} system valid to stoichiometric ionic strengths near 40 mol·kg−1 at 298 K and 0.1 MPa
Chemical Geology ( IF 3.9 ) Pub Date : 2024-03-16 , DOI: 10.1016/j.chemgeo.2024.122044
Charles S. Oakes , Anderson L. Ward , Nikita Chugunov

Existing molal-based Pitzer activity coefficient models for (H + Nd + NO){aq} mixtures are either inaccurate, ill-formed, or do not span the ionic strength () range of the solid solubility data for the (H + Nd + ox + NO){aq} system. As a precedential step in developing a thermodynamic model for aqueous neodymium-oxalate-bearing systems, a speciated, conventional Pitzer model was fitted to the osmotic coefficient and solid solubility data for the (H + Nd + NO){aq} system at 298 K and 0.1 MPa. The presented HNO{aq} model spans the range, 0 < < 30 mol·kg, using fewer parameters than previously published molal-based conventional Pitzer models for the speciated system. The Nd(NO){aq} and novel (H + Nd + NO){aq} models reproduce the fitted isopiestic and solid solubility data within their accuracy between infinite dilution and stoichiometric ionic strengths up to ∼40 mol·kg.

中文翻译:

(H+ – Nd3+ – NO3−){aq} 系统的传统基于摩尔的 Pitzer 模型,适用于 298 K 和 0.1 MPa 下接近 40 mol·kg−1 的化学计量离子强度

现有的 (H + Nd + NO){aq} 混合物的基于摩尔的 Pitzer 活度系数模型要么不准确、格式错误,要么不跨越 (H + Nd + ox + NO){aq} 系统。作为开发含草酸钕水溶液体系热力学模型的先决步骤,将特定的传统 Pitzer 模型拟合到 298 K 下 (H + Nd + NO){aq} 体系的渗透系数和固溶度数据和0.1兆帕。所提出的 HNO{aq} 模型跨越了 0 < < 30 mol·kg 的范围,使用的参数比之前发布的特定系统的基于摩尔的传统 Pitzer 模型更少。 Nd(NO){aq} 和新颖的 (H + Nd + NO){aq} 模型在无限稀释和高达 ∼40 mol·kg 的化学计量离子强度之间的精确度内再现了拟合的等压和固溶度数据。
更新日期:2024-03-16
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