New Proof That Water Separates Into Two Different Liquids At Low Temperatures

New Proof That Water Separates Into Two Different Liquids At Low Temperatures

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A new kind of “phase change” in water was first recommended 30 years ago in a research study by scientists from Boston University. Because the shift has been predicted to happen at supercooled problems, however, confirming its presence has been challenging. That is because, at these low temperatures, water really does not want to be a liquid; instead, it wants to become ice rapidly. Due to its hidden status, much is yet unknown about this liquid-liquid phase transition, unlike the everyday examples of stage transitions in water between a strong or vapor phase and a liquid stage.

This new proof, released in Nature Physics, represents a significant step forward in confirming the theory of a liquid-liquid phase transition 1st proposed in 1992. Francesco Sciortino, now one professor at Sapienza Università di Roma, was a member of the initial research group at Boston University and is also a co-author of this paper.

The group has utilized computer simulations to help clarify what features distinguish the 2 liquids at the microscopic degree. They uncovered that the water molecules in the high-density liquid form arrangements that are considered to be “topologically complex,” like a trefoil knot (think of the molecules arranged in such a form that they resemble a pretzel) or a Hopf link (think of 2 links in a steel chain). The molecules in the huge-density liquid are thus stated to be entangled.

In contrast, the molecules in the reduced-density liquid mostly create simple rings; hence, the molecules in the low-density liquid are unentangled.

Andreas Neophytou, one Ph.D. student at the College of Birmingham with Dr. Dwaipayan Chakrabarti, is lead writer on the paper. He says, “This insight has offered us with a completely fresh take on what is now a 30-year-old research issue and will hopefully be just the beginning.”

The researchers utilized a colloidal model of water in their simulation and then two widely utilized molecular water models. Colloids are particles that can be one thousand times larger than a single water molecule. By virtue of their relatively bigger dimension and hence slower movements, colloids are utilized to see and understand physical phenomena that also take place at the much smaller atomic, even molecular length scales.

Thermodynamic anomalies and LLCP in colloidal water. a, Schematic of the hierarchical self-assembly of triblock patchy particles leading to a colloidal model of water. The two patches, labeled A and B, are of different sizes and form bonds of different strengths. The A patches (red) form stronger bonds than the B patches (blue) so as to encode two-stage assembly upon cooling. b, The evolution of the reduced density ρ as a function of the reduced temperature T for different reduced pressures P, where P × 103 = 5, 6, 7, 7.5, 8.5, 9, 10, 12, 14 and 16. The arrow indicates the direction of increasing P. The inset highlights the density maximum for P × 103 = 5, 6, 7 and 7.5. c, The evolution of the reduced thermal expansion coefficient (α⋆PαP⋆{\alpha }_{P}^{\star}), isothermal compressibility (κ⋆TκT⋆{\kappa }_{T}^{\star}) and isobaric heat capacity (c⋆PcP⋆{c}_{P}^{\star}) as functions of T at P = 0.0085 (close to the critical pressure). Error bars represent the standard deviation over five sets of Monte Carlo trajectories, each of 1 × 108 cycles. d, The dependence of ρ and the fraction of BB bonds formed (fb) on P at T = 0.105 and T = 0.112. e, The distribution of the order parameter M for colloidal water (blue symbols), calculated using histogram reweighing, with T ≈ 0.1075, P ≈ 0.0082 and s ≈ 0.627, compared with the corresponding 3D Ising universal distribution (solid red line). Credit: Nature Physics (2022). DOI: 10.1038/s41567-022-01698-6

Dr. Chakrabarti, a co-author, states, “This colloidal model of water provides a magnifying glass into molecular water and allows us to unravel the mysteries of water concerning the tale of 2 liquids.”

Professor Sciortino says, “In this work, we suggest, for the 1st time, a view of the liquid-liquid stage change based on network entanglement ideas. I am sure this work will inspire unique academic modeling based upon topological theories.”

The group expect that the model they have developed will pave the way for recent experiments that will validate the concept and extend the theory of “entangled” liquids to other liquids like silicon.

Pablo Debenedetti, one professor of chemical and biological engineering at Princeton University in the United States and one world-leading expert in this area of research study, remarks, this beautiful computational work reveals the topological basis underlying the presence of different liquid stages in the same network-forming substance.

” In so doing, it substantially enriches and also deepens our understanding of a phenomenon that plentiful speculative and computational proof increasingly suggests is central to the physics of that most important of liquids: water.”

“Christian Micheletti, one professor at International School for Advanced Researches in Trieste, Italy, whose current research study interest lies in understanding the influence of entanglement, especially knots and also links, on the static, kinetics and functionality of biopolymers, states, “ with this single paper, Neophytou et al. made numeral breakthroughs which will be consequential across diverse scientific areas.

First, their sophisticated and experimentally amenable colloidal model for water opens entirely new perspectives for large-scale studies of liquids. Beyond this, they provide very solid proof that stage shifts that may be elusive to standard analysis of the local framework of liquids are instead readily collected by tracking the knots and also links in the bond network of the liquid.

“The concept of searching for such intricacies in the somewhat abstract area of pathways running along transient molecular bonds is a very potent one, and I expect it will be widely adopted to examine complex molecular systems.”

Sciortino states, ” Water, one after the other, shows its secrets. Dream how beautiful it would be if we could look inside the liquid and observe the dancing of the water molecules, the form they flicker, and the form they exchange partners, restructuring the hydrogen bond network. The realization of the colloidal model for water we propose can make this dream come true.”


More information:

Andreas Neophytou et al, Topological nature of the liquid–liquid phase transition in tetrahedral liquids, Nature Physics (2022). DOI: 10.1038/s41567-022-01698-6

Read the original article on PHYS.

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