ChemicalConvert[cheminst,targetunit]
将指定实例 cheminst 中的量转换为 targetunit.
ChemicalConvert[cheminst]
转换为 SI 基本单位.
ChemicalConvert
ChemicalConvert[cheminst,targetunit]
将指定实例 cheminst 中的量转换为 targetunit.
ChemicalConvert[cheminst]
转换为 SI 基本单位.
更多信息
- cheminst 必须是 ChemicalInstance 或 EntityInstance 表达式.
- targetunit 可以是规范单位、Quantity 表达式、QuantityVariable 表达式或 "PhysicalQuantity" Entity.
- 当 targetunit 是 Quantity 时,结果将具有与 targetunit 相同的单位.
- 当 targetunit 是 QuantityVariable 表达式或 "PhysicalQuantity" Entity,结果将使用相应的规范单位.
- targetunit 规范也可以是以下单位系统之一:"SIBase","SI","Imperial","Conventional" 或 "Metric".
- ChemicalConvert 使用标准温度 293.15 K (20 °C) 和标准压力 101325 Pa (1 atm) 作为 "Temperature" 和 "Pressure" 的默认值.
范例
打开所有单元 关闭所有单元基本范例 (4)
ChemicalConvert[ChemicalInstance[Entity["Element", "Sodium"], Quantity[2300, "Milligrams"]], "Millimoles"]ChemicalConvert[ChemicalInstance[Entity["Chemical", "Water"], Quantity[10, "Milliliters"]], "Molecules"]ChemicalConvert[ChemicalInstance[Entity["Element", "Helium"], Quantity[10, "Moles"]], "Feet"^3]ChemicalConvert[ChemicalInstance[Entity["Chemical", "Urea"], Quantity[10, "Ounces"]], "SIBase"]ChemicalConvert[ChemicalInstance[Entity["Chemical", "Urea"], Quantity[10, "Ounces"]]]范围 (5)
ChemicalConvert[ChemicalInstance[Entity["Chemical", "Water"], <|"Volume" -> Quantity[10, "Milliliters"], "Temperature" -> Quantity[450, "Kelvins"], "Pressure" -> Quantity[2, "Bars"]|>] , Entity["PhysicalQuantity", "Amount"]]ChemicalConvert[ChemicalInstance[Entity["Element", "Mercury"], <|"Amount" -> Quantity[5, "Moles"]|>], Volume]ChemicalConvert[ChemicalInstance[Entity["Chemical", "Caffeine"], Quantity[1000000000000, "Molecules"]], Quantity[1, "Grams"]]计算 0.6 摩尔药物阿莫西林的质量,以 Molecule 表示:
ChemicalConvert[ChemicalInstance[Molecule[{"S", "O", "O", "O", "O", "O", "N", "N", "N", "C", "C", "C", "C", "C", "C", "C", "C", "C",
"C", "C", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H",
"H", "H", "H", "H", "H", "H", "H"}, {Bond[{15, ... irection" -> "Clockwise"], Association["StereoType" -> "Tetrahedral",
"ChiralCenter" -> 13, "Direction" -> "Counterclockwise"],
Association["StereoType" -> "Tetrahedral", "ChiralCenter" -> 19,
"Direction" -> "Counterclockwise"]}}], Quantity[0.6, "Moles"]], "Grams"]计算 5 克“牛肉肽”的毫摩尔量,用 BioSequence 表示:
ChemicalConvert[ChemicalInstance[BioSequence["Peptide", "KGDEESLA", {}], Quantity[5, "Grams"]], "Millimoles"]推广和延伸 (2)
ChemicalConvert[ChemicalInstance[ChemicalFormula[{"U" -> 1, "O" -> 2, {"H" -> 2, "O" -> 1} -> 5}, Association["NetCharge" -> 2]], <|"Mass" -> Quantity[2, "Milligrams"], "MassDensity" -> Quantity[, "Grams" / "Milliliters"]|>], "Liters"]ChemicalConvert[ChemicalInstance[BioSequence["DNA", "ATAAACGTACGTTTTTAGGCT", {}], <|"Mass" -> Quantity[25, "Micrograms"], "MolarMass" -> Quantity[, "Grams" / "Moles"]|>], "Moles"]应用 (1)
当 5 克氢氧化钙与过量的磷酸反应生成
和水时,可以生成多少摩尔的二磷酸三钙,
? 首先配平化学反应方程式:
rxn = ReactionBalance[ChemicalReaction[{Entity["Chemical", "CalciumHydroxide"], Entity["Chemical", "PhosphoricAcid"]} -> {Entity["Chemical", "CalciumPhosphate"], Entity["Chemical", "Water"]}]]ratio = rxn["ProductCounts"][Entity["Chemical", "CalciumPhosphate"]] / rxn["ReactantCounts"][Entity["Chemical", "CalciumHydroxide"]]ChemicalConvert[ChemicalInstance[Entity["Chemical", "CalciumHydroxide"], Quantity[5, "Grams"]], "Moles"] * ratio可能存在的问题 (3)
如果无法确定化学实体的摩尔质量,则 ChemicalConvert 不求值:
ChemicalConvert[ChemicalInstance[Entity["Chemical", "Polypropylene"], Quantity[2, "Moles"]], "Grams"]如果化学物质的属性在非标准温度和压力下不可用,则 ChemicalConvert 保持不求值:
ChemicalConvert[ChemicalInstance[Entity["Chemical", "1Butanol"], <|"Volume" -> Quantity[1, "Liters"], "Temperature" -> Quantity[400, "Kelvins"]|>], "Moles"]多个物理量键会导致意想不到的结果. 这里,"Mass" 键的优先级高于 "Volume",所以它被用于转换,结果替换了初始体积:
ChemicalConvert[ChemicalInstance[Entity["Chemical", "Methane"], <|"Phase" -> "Gas", "Volume" -> Quantity[5, "Liters"], "Mass" -> Quantity[5, "Grams"]|>], "Liters"]相关指南
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▪
- 分子结构与计算
文本
Wolfram Research (2022),ChemicalConvert,Wolfram 语言函数,https://reference.wolfram.com/language/ref/ChemicalConvert.html.
CMS
Wolfram 语言. 2022. "ChemicalConvert." Wolfram 语言与系统参考资料中心. Wolfram Research. https://reference.wolfram.com/language/ref/ChemicalConvert.html.
APA
Wolfram 语言. (2022). ChemicalConvert. Wolfram 语言与系统参考资料中心. 追溯自 https://reference.wolfram.com/language/ref/ChemicalConvert.html 年
BibTeX
@misc{reference.wolfram_2026_chemicalconvert, author="Wolfram Research", title="{ChemicalConvert}", year="2022", howpublished="\url{https://reference.wolfram.com/language/ref/ChemicalConvert.html}", note=[Accessed: 14-September-2026]}
BibLaTeX
@online{reference.wolfram_2026_chemicalconvert, organization={Wolfram Research}, title={ChemicalConvert}, year={2022}, url={https://reference.wolfram.com/language/ref/ChemicalConvert.html}, note=[Accessed: 14-September-2026]}