Article(id=1236330610713744219, tenantId=1146029695717560320, journalId=1235980550691926019, issueId=1236330603000418795, articleNumber=null, orderNo=null, doi=10.3969/j.issn.0253-6099.2023.04.011, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1678464000000, receivedDateStr=2023-03-11, revisedDate=null, revisedDateStr=null, acceptedDate=null, acceptedDateStr=null, onlineDate=1772693787505, onlineDateStr=2026-03-05, pubDate=1690819200000, pubDateStr=2023-08-01, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1772693787505, onlineIssueDateStr=2026-03-05, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1772693787505, creator=13701087609, updateTime=1772693787505, updator=13701087609, issue=Issue{id=1236330603000418795, tenantId=1146029695717560320, journalId=1235980550691926019, year='2023', volume='43', issue='4', pageStart='1', pageEnd='189', issueExtLink='null', onlineDate='null', pubDate='null', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=null, createTime=1772693785667, creator=13701087609, updateTime=1772696855253, updator=13701087609, preIssue=null, nextIssue=null, ext={EN=IssueExt(id=1236343477835985022, tenantId=1146029695717560320, journalId=1235980550691926019, issueId=1236330603000418795, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1236343477835985023, tenantId=1146029695717560320, journalId=1235980550691926019, issueId=1236330603000418795, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null}, startPage=52, endPage=56, ext={EN=ArticleExt(id=1236330611087037293, articleId=1236330610713744219, tenantId=1146029695717560320, journalId=1235980550691926019, language=EN, title=Adsorption Mechanism of Lanthanum and Ammonium Ions on Kaolinite, columnId=1236276106932842717, journalTitle=Mining and Metallurgical Engineering, columnName=MINERAL PROCESSING, runingTitle=null, highlight=null, articleAbstract=

The adsorption mechanism of La³⁺ and NH₄⁺ ions on (001) and (00-1) planes of kaolinite has been studied based on the first-principle calculation of plane-wave pseudopotentials of density functional theory. The results show that La³⁺ ions are mainly adsorbed on kaolinite surface through electrostatic interaction, while NH₄⁺ ions are adsorbed thereon through both electrostatic interaction and hydrogen bonding, with more electrons transferred onto kaolinite surface than La³⁺. The absolute values of adsorption energy for ions on (001) plane of kaolinite are in the following descending order: La³⁺ > NH₄⁺ > H₂O, while on (00-1) plane in the following descending order: NH₄⁺ > La³⁺ > H₂O. It is found that La³⁺ ions are prone to be adsorbed on (001) plane, while NH₄⁺ ions are prone to be adsorbed on (00-1) plane. When ammonium sulfate is used as a leaching agent, rare earth ions like La³⁺ adsorbed on the (001) plane can only be effectively displaced with the leaching agent at a certain concentration.

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基于密度泛函理论的平面波赝势第一性原理计算，研究了La³⁺和NH₄⁺在高岭石（001）面和（00-1）面的吸附机理。结果表明，La³⁺主要通过静电作用吸附在高岭石表面，NH₄⁺除静电作用外，还存在氢键作用，比La³⁺有更多的电子转移到高岭石表面上。离子在高岭石（001）面的吸附能绝对值从大到小排序为：La³⁺>NH₄⁺>H₂O；离子在高岭石（00-1）面的吸附能绝对值从大到小排序为：NH₄⁺>La³⁺>H₂O。La³⁺更容易吸附在（001）面上，而NH₄⁺更容易吸附在（00-1）面上。采用硫酸铵作浸出剂时，浸出剂浓度需要提高到一定值才能使吸附在高岭石（001）面上的La³⁺等稀土离子被有效地交换下来。

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邹志强（1985—），男，江西萍乡人，博士研究生，高级工程师，主要从事离子型稀土资源高效提取利用和稀土矿山环境保护。

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邹志强（1985—），男，江西萍乡人，博士研究生，高级工程师，主要从事离子型稀土资源高效提取利用和稀土矿山环境保护。

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