Deciphering the anomalous properties of water
University of Barcelona team presents an innovative theoretical study to explain the unusual properties of water
University of Barcelona
image:
The paper is featured on the cover of The Journal of Chemical Physics.
view moreCredit: The Journal of Chemical Physics
Water, a molecule essential for life, has unusual properties — known as anomalies — that define its behaviour. However, there are still many enigmas about the molecular mechanisms that would explain the anomalies that make the water molecule unique. Deciphering and reproducing this particular behaviour of water in different temperature ranges is still a major challenge for the scientific community. Now, a study presents a new theoretical model capable of overcoming the limitations of previous methodologies to understand how water behaves in extreme conditions. The paper, featured on the cover of The Journal of Chemical Physics, is led by Giancarlo Franzese and Luis Enrique Coronas, from the Faculty of Physics and the Institute of Nanoscience and Nanotechnology of the University of Barcelona (IN2UB).
The study not only broadens our understanding of the physics of water, but also has implications for technology, biology and biomedicine, in particular for addressing the treatment of neurodegenerative diseases and the development of advanced biotechnologies.
The CVF model: better understanding the physics of wáter
The study, which results from the doctoral thesis that Luis E. Coronas presented in 2023 at the Faculty of Physics of the UB, shows a new theoretical model that responds to the acronym CVF (the initials of the surnames of the researchers Luis E. Coronas, Oriol Vilanova and Giancarlo Franzese). The new CVF model is reliable, efficient, scalable and transferable, and incorporates ab initio quantum calculations that accurately reproduce the thermodynamic properties of water under different conditions.
By applying the new theoretical framework, the study reveals that “there is a critical point between two liquid forms of water, and this critical point is the origin of the anomalies that make water unique and essential for life, as well as for many technological applications”, says Professor Giancarlo Franzese, from the Statistical Physics Section of the Department of Condensed Matter Physics.
“Although this conclusion has already been reached in other water models, none of them have the specific characteristics of the model we have developed in this study”, says Franzese.
Some current models to explain water anomalies cannot adequately reproduce the thermodynamic properties of water, such as its compressibility and heat capacity.
“However, the CVF model does this because it incorporates results from initial quantum calculations of interactions between molecules. These interactions, known as many-body problems, go beyond classical physics and are due to the fact that water molecules share electrons in a way that is difficult to measure experimentally”, says Franzese.
According to the study, “fluctuations in density, energy and entropy in water are regulated by these quantum interactions, with effects ranging from the nanometre to the macroscopic scale”, says researcher Luis E. Coronas.
“For example — Coronas continues —, water regulates the exchange of energy and molecules, as well as the state of aggregation of proteins and nucleic acids in cells. Defects in these processes are suspected to cause serious diseases such as Alzheimer’s, Parkinson’s and amyotrophic lateral sclerosis. Understanding how water fluctuations contribute to these processes could therefore be key to finding treatments for these diseases”.
Fostering the development of new biotechnologies
The CVF model also offers new advantages that allow calculations to be performed where other models fail, either because they are computationally too heavy or because they deviate significantly from experimental results.
In the field of technological development, some laboratories are developing biotechnologies to replace muscles (mechanical actuators) that take advantage of the quantum interactions of water; water-based memristors to create memory devices (with a capacity millions of times greater than current ones), or the application of graphene sponges that separate water from impurities thanks to fluctuations in the density of water in nanopores.
There are also implications for understanding the physics of water. “This model can reproduce the properties of liquid water at virtually all temperatures and pressures found on our planet, although it deviates at extreme conditions reached in laboratories”, say the experts. “This shows that effects not included in the model — nuclear quantum effects — are also important at these extreme pressures and temperatures. Thus, the limitations of the model guide us where to improve in order to arrive at a definitive formulation of the model”, they conclude.
Journal
The Journal of Chemical Physics
Method of Research
Experimental study
Subject of Research
Not applicable
Article Title
Phase behavior of metastable water from large-scale simulations of a quantitatively accurate model near ambient conditions: The liquid–liquid critical point
Rice WaTER Institute and Yokogawa partner on autonomous water treatment
Partnership aims to integrate automation and modular treatment solutions
Rice University
image:
CAPTION: Eric Willman, executive director of the Rice WaTER Institute and the Nanosystems Engineering Research Center for Nanotechnology Enabled Water Treatment (NEWT) (from left); Kevin McMillen, chief executive and global vice president of Yokogawa Corporation of America; Qilin Li, professor of civil and environmental engineering at Rice and co-director of the NEWT Center; Pedro Alvarez, Rice’s George R. Brown Professor of Civil and Environmental Engineering; and Steve Hayden, industry director of Yokogawa Corporation of America.
view moreCredit: (Credit: Yokogawa Corporation of America)
HOUSTON – (Nov. 14, 2024) – The Water Technologies Entrepreneurship and Research (WaTER) Institute at Rice University and Yokogawa Corporation of America, a provider of industrial automation and test and measurement solutions, announced today a new partnership in support of modular autonomous water treatment and reuse processes.
The agreement will leverage the complementary expertise and unique capabilities of both partners, officials said. The WaTER Institute has researched and developed modular treatment solutions, while Yokogawa is implementing system control and automation. The integration of these approaches sets the stage for more widespread adoption of autonomous water treatment processes.
“The agreement is mutually beneficial, providing Rice students with opportunities to engage in educational and research initiatives driven by real-world needs,” said Eric Willman, executive director of the WaTER Institute. “This practical experience will enhance their knowledge and skills, equipping them with the ability to shape a better future through entrepreneurship, research and advocacy.”
Rice and Yokogawa plan to develop a consortium of organizations and institutions based on a shared commitment to implement safe, secure and sustainable water solutions in support of the United Nations’ sustainable development goal to “ensure available and sustainable management of water and sanitation for all.” Prospective partners would provide experience and practical insights on economic assessment, community outreach, market research, laboratory analysis, industry approvals, manufacturing and commercialization.
“Partnering with Rice will provide us with access to real-time operational data for analysis,” said Steve Hayden, industry director of Yokogawa Corporation of America. “The open, transparent market insights and technology validation will enable us to expeditiously bring the benefits of the technology to the industry. In addition, partnering in workforce development will provide Rice students with placement opportunities in a range of organizations.”
The partnership is guided by the vision of bringing together a diverse coalition of collaborators, shaping a framework for the consortium and establishing guiding principles and priority tasks for the first year of operations, including determining funding sources, selecting a leadership team and securing executive sponsorship.
Launched earlier this year, the Rice WaTER Institute leads cutting-edge, multidisciplinary research and technological innovation focusing on three key areas: public health, energy transitions and resilient infrastructure.
-30-
This news release can be found online at news.rice.edu.
Follow Rice News and Media Relations via Twitter @RiceUNews.
About Rice:
Located on a 300-acre forested campus in Houston, Texas, Rice University is consistently ranked among the nation’s top 20 universities by U.S. News & World Report. Rice has highly respected schools of architecture, business, continuing studies, engineering and computing, humanities, music, natural sciences and social sciences and is home to the Baker Institute for Public Policy. Internationally, the university maintains the Rice Global Paris Center, a hub for innovative collaboration, research and inspired teaching located in the heart of Paris. With 4,776 undergraduates and 4,104 graduate students, Rice’s undergraduate student-to-faculty ratio is just under 6-to-1. Its residential college system builds close-knit communities and lifelong friendships, just one reason why Rice is ranked No. 1 for lots of race/class interaction and No. 7 for best-run colleges by the Princeton Review. Rice is also rated as a best value among private universities by the Wall Street Journal and is included on Forbes’ exclusive list of “New Ivies.”
About Yokogawa:
Yokogawa provides advanced solutions in the areas of measurement, control and information to customers across a broad range of industries, including energy, chemicals, materials, pharmaceuticals and food. Yokogawa addresses customer issues regarding the optimization of production, assets and the supply chain with the effective application of digital technologies, enabling the transition to autonomous operations.
Founded in Tokyo in 1915, Yokogawa continues to work toward a sustainable society through its 17,000-plus employees in a global network of 126 companies spanning 60 countries. For more information, visit www.yokogawa.com.
No comments:
Post a Comment