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Hess's Law

Hess's Law

There are two ways to determine the amount of heat involved in a chemical change: measure it experimentally, or calculate it from other experimentally determined enthalpy changes. Some reactions are difficult, if not impossible, to investigate and make accurate measurements for experimentally. And even when a reaction is not hard to perform or measure, it is convenient to be able to determine the heat involved in a reaction without having to perform an experiment.

Chemical Reactions

Chemical Reactions

A balanced chemical equation provides the information of chemical formulas of the reactants and products involved in the chemical change. A reaction’s stoichiometry helps predict how much of the reactant is needed to produce the desired amount of product, or in some cases, how much product will be formed from a specific amount of the reactant.
The relative amounts of reactants and products represented in a balanced chemical equation are often referred to as stoichiometric amounts. However, in...

Chemical Reactions

Chemical Reactions

A chemical reaction is a process by which the bonds in the atoms of substances are rearranged to generate new substances. Matter cannot be created or destroyed in a chemical reaction—the same type and number of atoms that make up the reactants are still present in the products. Merely, the rearrangement of chemical bonds produces new compounds.
Chemical Reactions Rearrange Atoms into New Substances
A chemical reaction takes starting materials—the reactants—and changes them into different...

Chemical Equations

Chemical Equations

Chemical equations represent the identities and relative quantities of substances involved in a chemical reaction. The substances undergoing reaction are called reactants, and their formulas are placed on the left side of the equation. The substances generated by the reaction are called products, and their formulas are placed on the right side of the equation. Plus signs (+) separate individual reactant and product formulas, and an arrow (→) separates the reactant and product (left and right)...

Thermochemical Equations

Thermochemical Equations

For a chemical reaction (the system) carried out at constant pressure – with the only work done caused by expansion or contraction – the enthalpy of reaction (also called the heat of reaction, ΔHrxn) is equal to the heat exchanged with the surroundings (qp).

Free Energy Changes for Nonstandard States

Free Energy Changes for Nonstandard States

The free energy change for a process taking place with reactants and products present under nonstandard conditions (pressures other than 1 bar; concentrations other than 1 M) is related to the standard free energy change according to this equation:

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Related Experiment Video

Updated: May 8, 2026

A Simple, Low-cost, and Robust System to Measure the Volume of Hydrogen Evolved by Chemical Reactions with Aqueous Solutions

A Simple, Low-cost, and Robust System to Measure the Volume of Hydrogen Evolved by Chemical Reactions with Aqueous Solutions

Published on: August 17, 2016

A Chebyshev method for state-to-state reactive scattering using reactant-product decoupling: OH + H2 → H2O + H.

Marko T Cvitaš¹, Stuart C Althorpe

¹Department of Physical Chemistry, Ruđer Bošković Institute, Bijenička Cesta 54, 10000 Zagreb, Croatia. mcvitas@irb.hr

The Journal of Chemical Physics

|August 17, 2013

Summary

This study enhances quantum dynamics calculations for four-atom reactions using a Chebyshev propagator. The improved method efficiently computes state-to-state reaction probabilities, enabling better understanding of chemical reactions.

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Last Updated: May 8, 2026

A Simple, Low-cost, and Robust System to Measure the Volume of Hydrogen Evolved by Chemical Reactions with Aqueous Solutions

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Published on: August 17, 2016

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Published on: July 19, 2019

Area of Science:

Chemical Physics
Quantum Dynamics
Computational Chemistry

Background:

State-to-state quantum dynamics calculations are crucial for understanding chemical reaction mechanisms.
Previous wave packet methods for four-atom reactions had limitations in computational efficiency and parallelization.

Purpose of the Study:

To extend a wave packet method for computing quantum dynamics of four-atom reactions by incorporating a Chebyshev propagator.
To improve the efficiency and parallelization capabilities of these calculations.

Main Methods:

The study utilizes the further partitioned approach to reactant-product decoupling.
Improved Chebyshev partitioning formulas with Mandelshtam-and-Taylor-type decoupling potentials were derived.
Non-unitary discrete variable representations were employed for four-atom reactive scattering.

Main Results:

Numerical tests on the OH + H2 → H2O + H reaction demonstrated the new method's efficiency, comparable to the split-operator version.
The Chebyshev propagator's advantages, particularly ease of parallelization for J > 0, can now be fully utilized.

Conclusions:

The enhanced wave packet method with a Chebyshev propagator provides an efficient and parallelizable approach for state-to-state quantum dynamics of four-atom reactions.
This advancement facilitates more accurate and feasible simulations of complex chemical processes.