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The search for sustainable ideas has gained prominence in recent decades at all levels of society since it has become imperative an economic, social, and environmental development in an integrated manner. In this context, biorefineries are currently present as the technology that best covers all these parameters, as they add the benefits of waste reuse, energy cogeneration, and fossil fuel substitution. Thus, the study of the various applicable biological matrices and exploring the technical capabilities of these processes become highly attractive. Thermodynamic modeling acts in this scenario as a fundamental tool for phase behavior predictions in process modeling, design, and optimization. Thus, this work aimed to systematize, using the PRISMA statement for systematic reviews, the information published between 2010 and 2020 on phase equilibria modeling in systems related to biorefineries to organize what is already known about the subject. As a result, 236 papers were categorized in terms of the year, country, type of phase equilibria, and thermodynamic model used. Also, the phase behavior predictions of different thermodynamic models under the same process conditions were qualitatively compared, establishing PC-SAFT as the model that best represents the great diversity of interest systems for biorefineries in a wide range of conditions. [ABSTRACT FROM AUTHOR]

The phase equilibria and thermodynamic properties of the Pd–Sn and Pt–Sn alloys have been studied intensively due to the importance of these systems for microelectronics, dentistry, and jewelry. In this work, the thermodynamic and phase diagram data of the Pd–Sn system and the Pt–Sn system available in the literature were critically reviewed, thermodynamic assessments of the entire Pd–Sn and Pt–Sn systems were then carried out based on the critically evaluated literature experimental information and the previous thermodynamic modeling work. The liquid phase of both systems was described using the modified quasi-chemical model in pair approximation. A set of self-consistent thermodynamic description for each system was reported, which can generally reproduce most of the reliable thermochemistry and phase equilibria data in the literature. A comparative study of different solution models in describing liquid with strong short-range ordering was also presented. [ABSTRACT FROM AUTHOR]

Microbial cells secrete extracellular polymeric substances (EPS) to adhere to material surfaces, if they get in contact with solid materials such as metals. After phase equilibrium, microorganisms can adhere firmly to the metal surfaces causing metal dissolution and corrosion. Attachment and adhesion of microorganisms via EPS increase the possibility and the rate of metal corrosion. Many components of EPS are electrochemical and redox active, making them closely related to metal corrosion. Functional groups in EPS have specific adsorption ability, causing them to play a key role in biocorrosion. This review emphasizes EPS properties related to metal corrosion and protection and the underlying microbially influenced corrosion (MIC) mechanisms. Future perspectives regarding a comprehensive study of MIC mechanisms and green methodologies for corrosion protection are provided. [ABSTRACT FROM AUTHOR]

We review theories of polyelectrolyte (PE) coacervation, which is the spontaneous association of oppositely charged units of PEs and phase separation into a polymer‐dense phase in aqueous solution. The simplest theories can be divided into "physics‐based" and "chemistry‐based" approaches. In the former, PEs are treated as charged, long‐chain, molecules, defined by charge level, chain length, and chain flexibility, but otherwise lacking chemical identity, with electrostatic interactions driving coacervation. The "chemistry‐based" approaches focus on the local interactions between the species for which chemical identity is critical, and describe coacervation as the result of competitive local binding interactions of monomers and salts. In this article, we show how these approaches complement each other by presenting recent approaches that take both physical and chemical effects into account. Finally, we suggest future directions toward producing theories that are made quantitatively predictive by accounting for both long range electrostatic and local chemically specific interactions. [ABSTRACT FROM AUTHOR]

Predictive molecular thermodynamic models can bridge the gap between the microscopic molecular level and macroscopic system scale. Over the past few decades, ionic liquids (ILs), as a class of green solvents and functional materials, have received widespread research interest in the field of chemical processing owing to their unique physicochemical merits. This review aims to provide an easy‐to‐read and exhaustive reference regarding state‐of‐the‐art predictive thermodynamic models for ILs, with more focuses on UNIFAC‐ and COSMO‐based models and various applications involving phase equilibrium prediction, guidance for IL screening and design, and building equilibrium stage models for separation processes. This review provides a theoretical perspective on the structure–property relationships between molecular structures and phase behaviors for the systems and the constituted components covering a multi‐scale viewpoint from molecular level to industrial scale. Moreover, the predictive capacities of different thermodynamic models are comprehensively compared. [ABSTRACT FROM AUTHOR]

Massive amounts of gas hydrates occur naturally in the pores of sediments or fractures in permafrost regions and beneath the oceans. For hydrate formation in confinement, the equilibrium condition can shift to harsher conditions, lowering the water activity and subsequently depressing the hydrate freezing temperature at a given pressure. Conversely, the nucleation and rate of hydrate formation, as well as hydrate conversion can be increased in confinement. Therefore, reliable assessment of the hydrate distribution in nature requires accurate thermodynamic and kinetic models of hydrate formation; however, these models tend to be based upon the properties of bulk hydrates. Hydrate formation and growth promotion in confinement are also potentially interesting for hydrate technological applications, such as gas separation, energy storage, and flow assurance. This paper reviews the thermodynamic and kinetic properties and their interrelations of gas hydrates in confined spaces. [ABSTRACT FROM AUTHOR]

Only within the last couple of years, complete isothermal sections for the Al-Ti-Zr system have been determined. Up to then there had been several investigations, but these were limited to the Ti-Zr and Ti-Al sides and the Ti- and Al corners of the system. Also recently the system has been evaluated by thermodynamic ab initio calculations and CALPHAD-type (CALculation of PHAse Diagrams) modelling. As Al-Ti-Zr alloys are of interest for a variety of applications and as the last assessment has been performed more than 15 years ago, this new critical evaluation of the existing literature about phase equilibria in the Al-Ti-Zr system has been performed. [ABSTRACT FROM AUTHOR]

The article reviews the book "Phase Equilibria, Phase Diagrams and Phase Transformations: Their Thermodynamic Basis," by Mats Hillert.