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Related Experiment Video

Updated: Jul 12, 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

Continuous thermodynamics approach for hydrogen solubility prediction.

Wilfredo Angulo¹, María G Lucena², Yris González³

¹School of Mathematical and Computational Sciences, Yachay Tech University, Urcuquí, 100115, Imbabura, Ecuador. wangulo@yachaytech.edu.ec.

Scientific Reports

|July 9, 2026

Summary

Accurate hydrogen solubility prediction in heavy petroleum fractions is crucial for hydroprocessing. A new continuous thermodynamics method improves accuracy and simplifies characterization of vacuum gas oils.

Keywords:

Continuous thermodynamics characterization hydrogen solubility vacuum gas oils

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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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Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

Published on: March 29, 2016

Area of Science:

Petroleum Chemistry
Chemical Engineering
Thermodynamics

Background:

Accurate characterization of heavy petroleum fractions is vital for hydroprocessing reactor modeling.
Reliable hydrogen solubility estimates in complex hydrocarbon mixtures are essential for process simulation.
Continuous thermodynamics has been used for vapor-liquid equilibrium calculations of petroleum fractions.

Purpose of the Study:

To develop a continuous thermodynamics-based methodology for characterizing vacuum gas oils.
To integrate this methodology with the Augmented Grayson-Streed (AGS) approach for hydrogen solubility prediction.
To improve the accuracy and reduce arbitrariness in heavy petroleum fraction characterization.

Main Methods:

Application of continuous thermodynamics to represent vacuum gas oils through continuous composition distributions.
Integration of the proposed characterization methodology with the Augmented Grayson-Streed (AGS) approach.
Validation against experimental data over specified temperature (459-653 K) and pressure (1.0-12.5 MPa) ranges.

Main Results:

The proposed strategy significantly reduces the global average absolute deviation in hydrogen solubility prediction from 22.5% to 11%.
The methodology provides a systematic approach to define a minimal set of pseudocomponents for heavy fraction characterization.
The method relies solely on routinely measured laboratory data, enhancing practicality.

Conclusions:

The developed continuous thermodynamics framework enhances the accuracy of hydrogen solubility prediction in vacuum gas oils.
This approach offers a systematic and less arbitrary method for heavy petroleum fraction characterization.
The improved accuracy and systematic nature benefit hydroprocessing reactor modeling and simulation.