Carbon capture and storage (CCS): the way forward
Carbon capture and storage (CCS) is broadly recognised as having the potential to play a
key role in meeting climate change targets, delivering low carbon heat and power …
key role in meeting climate change targets, delivering low carbon heat and power …
Combining machine learning with physical knowledge in thermodynamic modeling of fluid mixtures
Thermophysical properties of fluid mixtures are important in many fields of science and
engineering. However, experimental data are scarce in this field, so prediction methods are …
engineering. However, experimental data are scarce in this field, so prediction methods are …
Biosynthesis of polycyclopropanated high energy biofuels
Cyclopropane-functionalized hydrocarbons are excellent fuels due their high energy
density. However, the organic synthesis of these molecules is challenging. In this work, we …
density. However, the organic synthesis of these molecules is challenging. In this work, we …
A general guidebook for the theoretical prediction of physicochemical properties of chemicals for regulatory purposes
The REACH regulation (recent EU regulation for “Registration, Evaluation, Authorization,
and Restriction of Chemicals”) entered its product-recording phase after December 2008. 1 …
and Restriction of Chemicals”) entered its product-recording phase after December 2008. 1 …
Multi-objective thermo-economic optimization of organic Rankine cycle (ORC) power systems in waste-heat recovery applications using computer-aided molecular …
In this paper, we develop a framework for designing optimal organic Rankine cycle (ORC)
power systems that simultaneously considers both thermodynamic and economic objectives …
power systems that simultaneously considers both thermodynamic and economic objectives …
Phase-Change Solvents and Processes for Postcombustion CO2 Capture: A Detailed Review
This work reviews research activities in the development of phase-change CO2 capture
solvents and processes. The focus is on liquid–liquid phase-change solvents in which the …
solvents and processes. The focus is on liquid–liquid phase-change solvents in which the …
[HTML][HTML] Computer-aided working-fluid design, thermodynamic optimisation and thermoeconomic assessment of ORC systems for waste-heat recovery
The wider adoption of organic Rankine cycle (ORC) technology for power generation or
cogeneration from renewable or recovered waste-heat in many applications can be …
cogeneration from renewable or recovered waste-heat in many applications can be …
A hierarchical method to integrated solvent and process design of physical CO2 absorption using the SAFT‐γ Mie approach
Molecular‐level decisions are increasingly recognized as an integral part of process design.
Finding the optimal process performance requires the integrated optimization of process and …
Finding the optimal process performance requires the integrated optimization of process and …
[HTML][HTML] Industrial waste-heat recovery through integrated computer-aided working-fluid and ORC system optimisation using SAFT-γ Mie
A mixed-integer non-linear programming optimisation framework is formulated and
developed that combines a molecular-based, group-contribution equation of state, SAFT-γ …
developed that combines a molecular-based, group-contribution equation of state, SAFT-γ …
Expanding the applications of the SAFT-γ Mie group-contribution equation of state: prediction of thermodynamic properties and phase behavior of mixtures
AJ Haslam, A González-Pérez, S Di Lecce… - Journal of Chemical & …, 2020 - ACS Publications
We present the latest developments in thermodynamic modeling using the SAFT-γ Mie
group-contribution equation of state. The group database is updated, featuring now 58 …
group-contribution equation of state. The group database is updated, featuring now 58 …