Porphyrin protonation induces decoupling of trace metals in petroleum

doi:10.1016/j.orggeochem.2024.104878

NIGPAS OpenIR

	Porphyrin protonation induces decoupling of trace metals in petroleum
通讯作者	Zhang, Jingkun([email protected])
	Zhang, Jingkun 1; Cao, Jian 2; He, Wenjun 3
	2024-12-01
发表期刊	ORGANIC GEOCHEMISTRY
ISSN	0146-6380
卷号	198 页码:11
摘要	The mechanism of migration of trace metals in petroleum systems is poorly understood, which limits our understanding of organic-inorganic interactions and their application in tracing oil sources. Based on a molecular model of metalloporphyrin, numerical simulations involving density functional theory have revealed that porphyrin protonation is associated with trace-metal decoupling in petroleum. Trace metals readily form covalent bonds with weakly protonated porphyrin N to form stable compounds. However, the metals may be decoupled at lower fluid pH owing to increased N protonation, which activates the formation of ionic bonds with O2- . The released metals may then be fixed in authigenic calcite cement (ACC) reservoirs through substitution of Ca. For Mg, Mn, and Fe, the decoupling order is Mg > Fe > Mn, whereas that for the substitution of Ca is Mn > Fe > Mg, reflecting the complexity of organic-inorganic interactions and indicating the potential application of metals in fingerprinting oil sources. This case study of the southern Junggar Basin, China, revealed that Mn, Fe, and Mg enrichment of ACC may provide indications of Paleozoic, Mesozoic, and Cenozoic petroleum systems, respectively, providing a potential new approach for the tracing of oil sources in petroleum basins.
关键词	Organic-inorganic interaction Hydrocarbon reservoir geochemistry Oil source tracing Calcite cement Junggar Basin
DOI	10.1016/j.orggeochem.2024.104878
收录类别	SCI
语种	英语
关键词[WOS]	ORGANIC-INORGANIC INTERACTIONS ; JUNGGAR BASIN ; MIGRATION ; CALCITE ; VANADIUM ; NICKEL ; PROXIES ; ORIGIN ; CHINA ; GAS
资助项目	National Natural Science Foundation of China[42102148] ; National Natural Science Foundation of China[42230808]
WOS研究方向	Geochemistry & Geophysics
WOS类目	Geochemistry & Geophysics
WOS记录号	WOS:001356584700001
项目资助者	National Natural Science Foundation of China
出版者	PERGAMON-ELSEVIER SCIENCE LTD
文献类型	期刊论文
条目标识符	http://ir.nigpas.ac.cn/handle/332004/44578
专题	中国科学院南京地质古生物研究所
通讯作者	Zhang, Jingkun
作者单位	1.Chinese Acad Sci, Nanjing Inst Geol & Palaeontol, State Key Lab Palaeobiol & Stratig, Nanjing 210008, Peoples R China 2.Nanjing Univ, Sch Earth Sci & Engn, Nanjing 210023, Peoples R China 3.PetroChina Xinjiang Oilfield Co, Res Inst Petr Explorat & Explorat, Karamay 834000, Peoples R China
第一作者单位	中国科学院南京地质古生物研究所
通讯作者单位	中国科学院南京地质古生物研究所
推荐引用方式 GB/T 7714	Zhang, Jingkun,Cao, Jian,He, Wenjun. Porphyrin protonation induces decoupling of trace metals in petroleum[J]. ORGANIC GEOCHEMISTRY,2024,198:11.
APA	Zhang, Jingkun,Cao, Jian,&He, Wenjun.(2024).Porphyrin protonation induces decoupling of trace metals in petroleum.ORGANIC GEOCHEMISTRY,198,11.
MLA	Zhang, Jingkun,et al."Porphyrin protonation induces decoupling of trace metals in petroleum".ORGANIC GEOCHEMISTRY 198(2024):11.