A View on the Future of Applied Thermodynamics

Abstract

Thermodynamics is the science of the interactions between energy and matter. It was formalized in the late 19th century and remains an essential piece in solving many technological challenges that society faces today. Yet, it is often considered complex and challenging, perhaps because it is often taught within a rigid mathematical framework, without highlighting the extensive range of applications and the tools that it offers for understanding and elaborating a sustainable future. The authors of this paper have performed an industrial survey (Kontogeorgis et al., Ind. Eng. Chem. Res., 2021, 60, 13, 4987-5013), which pointed out that thermodynamics is indeed a cornerstone of many processes in a large range of industries, but that as of today, many questions and needs remain unanswered. Some missing answers are caused by a lack of knowledge of the existing tools (educational issue), some by the unavailability of models, parameters or by the lack of transferability of the concepts from one system to another. In other cases, simply, no generally accepted approach exists, and fundamental research is required for understanding the phenomena. In all cases, data are needed, either to understand, develop, or validate the models. Specific recent examples of applied thermodynamics research relevant to industrial practice are discussed. This manuscript aims not only at promoting research but also at encouraging highly trained professionals to engage in education, laboratory work, fundamental developments, and/or model validation. Such professionals should find positions both in academia and in industry, as well as with software vendors. Collaboration between academia, industry, and software vendors is essential in order to foster new developments and serve the goals of sustainable development and circular economy.

Carbonation in Low-Temperature CO2 Electrolyzers: Causes, Consequences, and Solutions

“…Creative GDE designs will be of paramount importance to overcome the flooding problem. , Multiscale/multiphysics modeling: CO2R at the electrode is a complex phenomenon that involves multiple phases (gas/liquid/solid) and reactions (homogeneous and heterogeneous), which are affected by the presence of electrolytes and electric field. Advanced modeling of the near-electrode and membrane environment will provide useful insights into the carbonation phenomena that is affected by mass transport, electrochemical and homogeneous reactions, and thermal effects. − Moreover, advanced thermodynamic modeling using electrolyte equations of state and molecular simulation are essential for predicting the key thermodynamic, transport, and structural properties of the relevant liquid systems. − Such properties are the mutual solubilities (e.g., gases in the aqueous electrolyte phase), transport coefficients (i.e., Maxwell-Stefan and self-diffusivities, ionic conductivities, viscosity), and partial molar properties. − Electrolyte-free electrolysis: The presence of electrolytes in CO 2 electrolyzers has several disadvantages. First, liquid products are contaminated with the electrolytes, which complicate the downstream process.…”

Transition Energy, Orientation Force and Work Done in Transitional Behavior Atoms: Formulating New Principles in Thermodynamics

“…A short review of dissolution thermodynamics provides information on crystal morphologies and structures [20]. Collaboration between different organizations will foster new developments in applied thermodynamics [21].…”

FeOs: An Open-Source Framework for Equations of State and Classical Density Functional Theory

“…Thermodynamic equations of state (EoS) are fundamental tools in thermal and chemical engineering − They enable calculating properties of multicomponent systems as a function of experimentally accessible quantities such as temperature, pressure, and composition. Equations of state differ in the breadth of their applicability and complexity, and depending on the field of application, there are requirements on functionality, robustness, precision, and computational speed.…”