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ChemicalInstance[chemical,<|qual1val1,qual2val2,|>]

表示其限定符 quali 的值为 vali 的 chemical.

ChemicalInstance[chemical,quantity]

表示按 quantity 量化的 chemical.

更多信息
Details and Options Details and Options
范例  
基本范例  
范围  
化学品  
属性  
推广和延伸  
应用  
可能存在的问题  
参见
相关指南
历史
按以下格式引用：

ChemicalInstance

ChemicalInstance[chemical,<|qual1val1,qual2val2,|>]

表示其限定符 quali 的值为 vali 的 chemical.

ChemicalInstance[chemical,quantity]

表示按 quantity 量化的 chemical.

更多信息

范例

打开所有单元 关闭所有单元

基本范例  (2)

表示包含 40 个原子的固态银纳米粒子：

Wolfram Language code: ChemicalInstance[Entity["Element", "Silver"], <|"Atoms" -> Quantity[40, "Atoms"], "Phase" -> "Solid"|>]

使用毫克天平表示测量的二氧化锡的量：

Wolfram Language code: ChemicalInstance[Entity["Chemical", "TinIVOxide"], <|"Mass" -> Quantity[Around[14.583, 0.0009], "Grams"]|>]

等价规范：

Wolfram Language code: ChemicalInstance[Entity["Chemical", "TinIVOxide"], Quantity[Around[14.583, 0.0009], "Grams"]]

范围  (10)

化学品  (6)

表示包含 30 个原子的金纳米粒子：

Wolfram Language code: ChemicalInstance[Atom["Au"], Quantity[30, "Atoms"]]

表示 3 毫克 DNA 序列：

Wolfram Language code: ChemicalInstance[BioSequence["DNA", "ATAAACGTACGTTTTTAGGCT"], Quantity[3, "Milligrams"]]

表示 3 mL 的新化学品，其经验公式为 ：

Wolfram Language code: ChemicalInstance[ChemicalFormula["PaC8H8"], Quantity[Around[3., 0.1], "Milliliters"]]

表示 50 微克的钚-239：

Wolfram Language code: ChemicalInstance[Entity["Isotope", "Plutonium239"], Quantity[50, "Micrograms"]]

使用 ExternalIdentifier 表示固态三氧化铀：

Wolfram Language code: ChemicalInstance[Molecule[ExternalIdentifier["PubChemCompoundID", 74013]], <|"Phase" -> "Solid"|>]

表示 6 毫摩尔六甲基钨：

Wolfram Language code: ChemicalInstance[Molecule["C[W](C)(C)(C)(C)C"], Quantity[6, "Millimoles"]]

属性  (4)

提取化学物质：

Wolfram Language code: ChemicalInstance[Molecule["1,3-butadiene"], <|"Volume" -> Quantity[3, "Milliliters"], "MassDensity" -> Quantity[Around[0.64, 0.01], "Grams"/"Milliliters"], "Temperature" -> Quantity[-6, "DegreesCelsiusDifference"]|>]["Chemical"]
Wolfram Language code: ChemicalInstance[Entity["Chemical", "Water"], Quantity[Around[5.1, 0.05], "Milliliters"]]["Chemical"]

提取数量：

Wolfram Language code: ChemicalInstance[Molecule["1,3-butadiene"], <|"Volume" -> Quantity[3, "Milliliters"], "MassDensity" -> Quantity[Around[0.64, 0.01], "Grams"/"Milliliters"], "Temperature" -> Quantity[-6, "DegreesCelsiusDifference"]|>]["Quantity"]
Wolfram Language code: ChemicalInstance[Entity["Chemical", "Water"], Quantity[Around[5.1, 0.05], "Milliliters"]]["Quantity"]

计算对应于广泛物理性质的量：

Wolfram Language code: ChemicalInstance[Entity["Chemical", "ManganeseIVOxide"], Quantity[30, "Grams"]]["Amount"]
Wolfram Language code: ChemicalInstance[Entity["Chemical", "ManganeseIVOxide"], Quantity[30, "Grams"]]["MoleculeCount"]
Wolfram Language code: ChemicalInstance[Entity["Chemical", "ManganeseIVOxide"], Quantity[30, "Grams"]]["Volume"]

使用存在的任何合格数据获取化学性质：

Wolfram Language code: ChemicalInstance[Entity["Chemical", "PenicillinV"], <|"MassDensity" -> Quantity[Around[1.441, 0.005], "Grams" / "Centimeters"^3], "Volume" -> Quantity[Around[5.1, 0.05], "Milliliters"]|>]["MassDensity"]
Wolfram Language code: ChemicalInstance[Entity["Chemical", "PenicillinV"], Quantity[Around[5.1, 0.05], "Milliliters"]]["MassDensity"]

推广和延伸  (2)

当密度未知时，符号式地计算体积：

Wolfram Language code: ChemicalInstance[ChemicalFormula[{"U" -> 1, "O" -> 2, {"H" -> 2, "O" -> 1} -> 5}, Association["NetCharge" -> 2]], <|"Mass" -> Quantity[2, "Milligrams"], "MassDensity" -> Quantity[, "Grams" / "Milliliters"]|>]["Volume"]

符号式计算物质的量：

Wolfram Language code: ChemicalInstance[BioSequence["DNA", "ATAAACGTACGTTTTTAGGCT", {}], <|"Mass" -> Quantity[25, "Micrograms"], "MolarMass" -> Quantity[, "Grams" / "Moles"]|>]["Amount"]

应用  (1)

比较 2 mg 锡的每种稳定同位素中的原子数：

Wolfram Language code: BarChart[Map[ChemicalInstance[#, Quantity[2, "Milligrams"]]["AtomCount"]&, {Entity["Isotope", "Tin120"], Entity["Isotope", "Tin118"], Entity["Isotope", "Tin116"], Entity["Isotope", "Tin119"], Entity["Isotope", "Tin117"], Entity["Isotope", "Tin124"], Entity["Isotope", "Tin122"], Entity["Isotope", "Tin112"], Entity["Isotope", "Tin114"], Entity["Isotope", "Tin115"]}]]

可能存在的问题  (1)

Wolfram Language code: ChemicalInstance[Entity["Chemical", "1Butanol"], <|"Volume" -> Quantity[1, "Liters"], "Temperature" -> Quantity[400, "Kelvins"]|>]["Amount"]
Wolfram Research (2022)，ChemicalInstance，Wolfram 语言函数，https://reference.wolfram.com/language/ref/ChemicalInstance.html.

文本

Wolfram Research (2022)，ChemicalInstance，Wolfram 语言函数，https://reference.wolfram.com/language/ref/ChemicalInstance.html.

CMS

Wolfram 语言. 2022. "ChemicalInstance." Wolfram 语言与系统参考资料中心. Wolfram Research. https://reference.wolfram.com/language/ref/ChemicalInstance.html.

APA

Wolfram 语言. (2022). ChemicalInstance. Wolfram 语言与系统参考资料中心. 追溯自 https://reference.wolfram.com/language/ref/ChemicalInstance.html 年

BibTeX

@misc{reference.wolfram_2026_chemicalinstance, author="Wolfram Research", title="{ChemicalInstance}", year="2022", howpublished="\url{https://reference.wolfram.com/language/ref/ChemicalInstance.html}", note=[Accessed: 12-September-2026]}

BibLaTeX

@online{reference.wolfram_2026_chemicalinstance, organization={Wolfram Research}, title={ChemicalInstance}, year={2022}, url={https://reference.wolfram.com/language/ref/ChemicalInstance.html}, note=[Accessed: 12-September-2026]}