ChemicalConvert[cheminst,targetunit]
指定されたインスタンス中の数量を cheminst から targetunit に変換する.
ChemicalConvert[cheminst]
SI基本単位に変換する.
ChemicalConvert
ChemicalConvert[cheminst,targetunit]
指定されたインスタンス中の数量を cheminst から targetunit に変換する.
ChemicalConvert[cheminst]
SI基本単位に変換する.
詳細
- cheminst はChemicalInstance式またはEntityInstance式でなければならない.
- targetunit は,基準単位,Quantity式,QuantityVariable式,あるいは"PhysicalQuantity" Entityでよい.
- targetunit がQuantityのとき,結果は targetunit と同じ単位になる.
- targetunit がQuantityVariable式または"PhysicalQuantity" Entity実体のとき,結果は対応する基準単位になる.
- targetunit 指定は"SIBase","SI","Imperial","Conventional"あるいは"Metric"の単位系でもよい.
- ChemicalConvertは"Temperature"および"Pressure"のデフォルト値として標準温度293.15K(20°C)と標準圧力101325Pa (1atm)を使う.
例題
すべて開く すべて閉じる例 (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"]]]スコープ (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"]]Moleculeとして表される薬物アモキシシリン0.6モルの質量を計算する:
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"]BioSequenceとして表される「ビーフミートペプチド」5グラムの量をミリモルで計算する:
ChemicalConvert[ChemicalInstance[BioSequence["Peptide", "KGDEESLA", {}], Quantity[5, "Grams"]], "Millimoles"]一般化と拡張 (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"]アプリケーション (1)
水酸化カルシウムが過リン酸と反応して
と水が生成される場合,5グラムの水酸化カルシウムからリン酸三カルシウム
は何モル生成できるだろうか.化学反応のバランスを取るところから始める:
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考えられる問題 (3)
ChemicalConvertは,化学実体のモル質量が決定できない場合は未評価のままにされる:
ChemicalConvert[ChemicalInstance[Entity["Chemical", "Polypropylene"], Quantity[2, "Moles"]], "Grams"]ChemicalConvertは,非標準の温度と圧力における化学物質の特性が分からない場合は未評価のままにされる:
ChemicalConvert[ChemicalInstance[Entity["Chemical", "1Butanol"], <|"Volume" -> Quantity[1, "Liters"], "Temperature" -> Quantity[400, "Kelvins"]|>], "Moles"]複数の物理量のキーがあると予想できない結果になることがある.以下では"Mass"キーの方が"Volume"キーより優先順位が高いので,こちらを使って変換が行われ,その結果が初期値を置換する:
ChemicalConvert[ChemicalInstance[Entity["Chemical", "Methane"], <|"Phase" -> "Gas", "Volume" -> Quantity[5, "Liters"], "Mass" -> Quantity[5, "Grams"]|>], "Liters"]関連するガイド
-
▪
- 分子の構造と計算
テキスト
Wolfram Research (2022), ChemicalConvert, Wolfram言語関数, https://reference.wolfram.com/language/ref/ChemicalConvert.html.
CMS
Wolfram Language. 2022. "ChemicalConvert." Wolfram Language & System Documentation Center. Wolfram Research. https://reference.wolfram.com/language/ref/ChemicalConvert.html.
APA
Wolfram Language. (2022). ChemicalConvert. Wolfram Language & System Documentation Center. Retrieved from https://reference.wolfram.com/language/ref/ChemicalConvert.html
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: 08-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: 08-September-2026]}