{"schema":"https://ver.cy/schemas/card/1.0.0","id":"vr.tr.chemical-reaction","code":"thing-q36534","url":"https://ver.cy/models/thing/q36534/","name":"chemical reaction","alternateNames":[],"kind":"thing","status":"research-draft","version":"0.2.0-wave.1","language":"en","classifiers":{"family":"Thing Registry","category":"Activities and processes","entryKind":"thing","plane":"ACT","domain":["ACT.PRC"],"industry":[],"navPath":"","tags":[],"facets":{}},"whatItIs":"A process in which substances, the reactants, are transformed into different substances, the products, by breaking and forming chemical bonds, while elements are conserved.","purpose":"Let an agent reason about a reaction through its equation, conditions, rate, energy and hazards, and never give instructions that make a dangerous reaction easier to perform.","scope":{"in":[],"out":[],"boundaries":[]},"distinguishingFeatures":["New substances form, unlike physical changes such as melting","Atoms are conserved; nuclear reactions are a different category","Described by a balanced equation with stoichiometry","Rate and equilibrium are separate questions"],"structure":{"bundles":[{"id":"equation-and-stoichiometry","name":"Equation and stoichiometry","description":"What reacts and what forms.","layers":[{"id":"equation","name":"Equation","description":"Reactants and products.","findings":[{"id":"equation-finding","name":"Balanced equation","description":"The balanced equation and states.","questions":[{"text":"What is the balanced equation, with states of matter?","kind":"definition"},{"text":"Which side products or by-products form?","kind":"definition"}]}]},{"id":"yield","name":"Yield","description":"Theoretical and actual yield.","findings":[{"id":"yield-finding","name":"Yield data","description":"The yield obtained and expected.","questions":[{"text":"What is the theoretical and actual yield?","kind":"measurement"},{"text":"What limits the yield?","kind":"definition"}]}]}]},{"id":"conditions-and-kinetics","name":"Conditions and kinetics","description":"How fast and under what conditions.","layers":[{"id":"conditions","name":"Conditions","description":"Temperature, pressure, solvent and catalyst.","findings":[{"id":"conditions-finding","name":"Reaction conditions","description":"The conditions used.","questions":[{"text":"Under what conditions does the reaction proceed?","kind":"definition"},{"text":"What catalyst, if any, is involved?","kind":"definition"}]}]},{"id":"rate","name":"Rate","description":"Rate law and activation energy.","findings":[{"id":"rate-finding","name":"Kinetic data","description":"The rate law and parameters.","questions":[{"text":"What is the rate law, and how was it determined?","kind":"measurement"},{"text":"How does the rate change with temperature?","kind":"measurement"}]}]}]},{"id":"energy-and-equilibrium","name":"Energy and equilibrium","description":"Heat and extent.","layers":[{"id":"energy","name":"Energy change","description":"Enthalpy and heat release.","findings":[{"id":"energy-finding","name":"Thermochemistry","description":"The enthalpy change and heat release rate.","questions":[{"text":"What is the enthalpy change?","kind":"measurement"},{"text":"How fast is heat released, and can it be removed?","kind":"boundary"}]}]},{"id":"equilibrium","name":"Equilibrium","description":"Extent and reversibility.","findings":[{"id":"equilibrium-finding","name":"Equilibrium data","description":"The equilibrium constant and position.","questions":[{"text":"Is the reaction reversible, and what is its equilibrium constant?","kind":"measurement"},{"text":"How can the equilibrium be shifted?","kind":"definition"}]}]}]},{"id":"safety","name":"Safety","description":"Hazards and limits.","layers":[{"id":"hazards","name":"Hazards","description":"Runaway, toxic products and incompatibility.","findings":[{"id":"hazards-finding","name":"Hazard assessment","description":"The hazards and their controls.","questions":[{"text":"Which hazards does this reaction present?","kind":"boundary"},{"text":"What controls are required at this scale?","kind":"action"}]}]},{"id":"limits","name":"Limits on assistance","description":"What an agent must not help with.","findings":[{"id":"limits-finding","name":"Assistance limits","description":"Requests that must be declined.","questions":[{"text":"Would giving procedural detail here make harm easier?","kind":"boundary"},{"text":"What safe, general information can be given instead?","kind":"action"}]}]}]}]},"agentConduct":{"may":["write and balance its equation","control it, through temperature, pressure, concentration and catalysts","measure its rate, yield and energy change","scale it up, which changes the hazards"],"mustNot":["Let an agent reason about a reaction through its equation, conditions, rate, energy and hazards, and never give instructions that make a dangerous reaction easier to perform."],"requiresHuman":[]},"ethics":{"considerations":[],"affectedParties":[]},"owners":{"steward":"","roles":[],"masterSystems":[]},"relations":[{"target":"Q2281940","type":"parent","note":"registry parent class"},{"target":"chemical substance","type":"related","note":"reactants and products are substance models"},{"target":"chemical equation","type":"related","note":"the balanced equation is its formal record"},{"target":"catalyst","type":"related","note":"catalysts change rate without being consumed"},{"target":"physical change","type":"related","note":"no new substance forms in a physical change"}],"interaction":{"identity":{"applicability":"required","items":["Vercy registry: vr.tr.chemical-reaction","Wikidata: Q36534 (https://www.wikidata.org/wiki/Q36534)","Rhea ID: numeric curated biochemical reactions","RInChI: reaction InChI string standard reaction identifier"]},"properties":{"applicability":"not-applicable","items":["enthalpy of reaction: -several thousand to +several hundred kJ/mol - negative is exothermic","activation energy: 10-300 kJ/mol - governs how rate depends on temperature"]},"recognition":{"applicability":"optional","items":["A new substance appears, seen as a precipitate, gas or colour change","Temperature changes without heating or cooling from outside","Visible signs are not conclusive; analysis confirms the products","Signs include colour change, gas bubbles, a precipitate, heat or light, or a change in smell; many reactions show no visible sign."]},"capabilities":{"applicability":"required","items":["write and balance its equation","control it, through temperature, pressure, concentration and catalysts","measure its rate, yield and energy change","scale it up, which changes the hazards"]},"hazards":{"applicability":"required","items":["Runaway exothermic reactions, which cause fires and explosions","Toxic or flammable products and by-products","Incompatible reactants mixed by mistake","Scale-up that changes heat removal and hazards"]},"interfaces":{"applicability":"required","items":["IUPAC recommendations on nomenclature and kinetics","Process safety regulations such as Seveso III in the EU and OSHA PSM in the US","GHS labelling for the substances involved"]},"context":{"applicability":"required","items":["Making new substances, releasing or storing energy, and explaining change in matter.","by mechanism: synthesis, decomposition, substitution, redox, acid-base, precipitation, combustion","by energy: exothermic, endothermic","by phase: homogeneous, heterogeneous","by catalysis: catalysed, enzymatic, uncatalysed"]}},"sources":[{"title":"Wikidata item Q36534: chemical reaction","url":"https://www.wikidata.org/wiki/Q36534","note":"identity and sense of the item"},{"title":"Wikipedia: Chemical reaction","url":"https://en.wikipedia.org/wiki/Chemical_reaction","note":"general description of the item"}],"openQuestions":["Should reaction classes and specific reactions be separate entries?","How should reaction hazards be represented so agents decline unsafe requests consistently?","Which identifier should be preferred for reactions?"],"resources":{"spec":"/models/things/publications/thing-q36534/spec.json"},"provenance":{"origin":"thing registry research (pass 2)","builtFrom":["models/things/publications/thing-q36534/spec.json"],"providers":["Claude"],"researchStatus":"unreviewed","generatedAt":"2026-09-11T04:26:34Z","builder":"tools/build_cards.py@1.0.0"},"completeness":{"sections":{"classifiers":"filled","whatItIs":"filled","purpose":"filled","distinguishingFeatures":"filled","structure":"filled","agentConduct":"derived","ethics":"missing","owners":"missing","relations":"filled","interaction.identity":"filled","interaction.properties":"not-applicable","interaction.recognition":"filled","interaction.capabilities":"filled","interaction.hazards":"filled","interaction.interfaces":"filled","interaction.context":"filled","sources":"filled"},"notes":{"agentConduct":"Affordances listed as what may be done; prohibitions collected from the text.","interaction.properties":"Plane ACT: no invented physical properties."},"score":0.844}}