Annual review of chemical and biomolecular engineering最新文献

New experimental technology and theoretical approaches have advanced battery research across length scales ranging from the molecular to the macroscopic. Direct observations of nanoscale phenomena and atomistic simulations have enhanced the understanding of the fundamental electrochemical processes that occur in battery materials. This vast and ever-growing pool of microscopic data brings with it the challenge of isolating crucial performance-decisive physical parameters, an effort that often requires the consideration of intricate interactions across very different length scales and timescales. Effective physics-based battery modeling emphasizes the cross-scale perspective, with the aim of showing how nanoscale physicochemical phenomena affect device performance. This review surveys the methods researchers have used to bridge the gap between the nanoscale and the macroscale. We highlight the modeling of properties or phenomena that have direct and considerable impact on battery performance metrics, such as open-circuit voltage and charge/discharge overpotentials. Particular emphasis is given to thermodynamically rigorous multiphysics models that incorporate coupling between materials' mechanical and electrochemical states.

The production of thermoset polymers is increasing globally owing to their advantageous properties, particularly when applied as composite materials. Though these materials are traditionally used in more durable, longer-lasting applications, ultimately, they become waste at the end of their usable lifetimes. Current recycling practices are not applicable to traditional thermoset waste, owing to their network structures and lack of processability. Recently, researchers have been developing thermoset polymers with the right functionalities to be chemically degraded under relatively benign conditions postuse, providing a route to future management of thermoset waste. This review presents thermosets containing hydrolytically or solvolytically cleavable bonds, such as esters and acetals. Hydrolysis and solvolysis mechanisms are discussed, and various factors that influence the degradation rates are examined. Degradable thermosets with impressive mechanical, thermal, and adhesion behavior are discussed, illustrating that the design of material end-of-life need not limit material performance.

Alongside the rising global water demand, continued stress on current water supplies has sparked interest in using nontraditional source waters for energy, agriculture, industry, and domestic needs. Membrane technologies have emerged as one of the most promising approaches to achieve water security, but implementation of membrane processes for increasingly complex waters remains a challenge. The technical feasibility of membrane processes replacing conventional treatment of alternative water supplies (e.g., wastewater, seawater, and produced water) is considered in the context of typical and emerging water quality goals. This review considers the effectiveness of current technologies (both conventional and membrane based), as well as the potential for recent advancements in membrane research to achieve these water quality goals. We envision the future of water treatment to integrate advanced membranes (e.g., mixed-matrix membranes, block copolymers) into smart treatment trains that achieve several goals, including fit-for-purpose water generation, resource recovery, and energy conservation.

John Davidson was widely recognized as the founding father of fluidization in chemical engineering. He was a great thinker and had a tremendous ability to distill complicated problems into much simpler concepts. Much of his thinking was set out, along with that of his coauthor David Harrison, in their book Fluidised Particles, first published in 1963, a book that is still used today. John was still coming into his office in Cambridge until the very last weeks of his life, where he continued to work with final-year undergraduates and graduate students. Fluidization, and two-phase flows, continued to fascinate him, and that enthusiasm was transmitted to those around him. The following article was the last work that he wrote and was very much a reflection on his life and career. John passed away on Christmas Day 2019, with the article in its final stages of preparation.

Nature has evolved a wide range of strategies to create self-assembled protein nanostructures with structurally defined architectures that serve a myriad of highly specialized biological functions. With the advent of biological tools for site-specific protein modifications and de novo protein design, a wide range of customized protein nanocarriers have been created using both natural and synthetic biological building blocks to mimic these native designs for targeted biomedical applications. In this review, different design frameworks and synthetic decoration strategies for achieving these functional protein nanostructures are summarized. Key attributes of these designer protein nanostructures, their unique functions, and their impact on biosensing and therapeutic applications are discussed.

Enantiomer separation and the isolation of natural products from plants pose challenging separation problems resulting from the similarity of molecules and the number of compounds present in synthesis or extract mixtures. Furthermore, limited theory is available to predict productivities for possible alternative separation techniques. The application and performance of chromatography- and crystallization-based processes are demonstrated for various case studies devoted to isolating valuable target compounds from complex initial mixtures. In all cases, the first emphasis is set to determine the process-specific phase equilibria to identify feasible process options. For all examples considered, yields and productivities are evaluated and compared for different scenarios. Guidelines to approach and solve similar separation tasks are given.

We review the modern state of cellular automata (CA) applications for solving practical problems in chemistry and chemical technology. We consider the problems of material structure modeling and prediction of materials' morphology-dependent properties. We review the use of the CA approach for modeling diffusion, crystallization, dissolution, erosion, corrosion, adsorption, and hydration processes. We also consider examples of hybrid CA-based models, which are combinations of various CA with other computational approaches and modeling methods. Finally, we discuss the use of high-performance parallel computing to increase the efficiency of CA.

Peptide-polymer conjugates are a class of soft materials composed of covalently linked blocks of protein/polypeptides and synthetic/natural polymers. These materials are practically useful in biological applications, such as drug delivery, DNA/gene delivery, and antimicrobial coatings, as well as nonbiological applications, such as electronics, separations, optics, and sensing. Given their broad applicability, there is motivation to understand the molecular and macroscale structure, dynamics, and thermodynamic behavior exhibited by such materials. We focus on the past and ongoing molecular simulation studies aimed at obtaining such fundamental understanding and predicting molecular design rules for the target function. We describe briefly the experimental work in this field that validates or motivates these computational studies. We also describe the various models (e.g., atomistic, coarse-grained, or hybrid) and simulation methods (e.g., stochastic versus deterministic, enhanced sampling) that have been used and the types of questions that have been answered using these computational approaches.

Further development of biomass conversions to viable chemicals and fuels will require improved atom utilization, process efficiency, and synergistic allocation of carbon feedstock into diverse products, as is the case in the well-developed petroleum industry. The integration of biological and chemical processes, which harnesses the strength of each type of process, can lead to advantaged processes over processes limited to one or the other. This synergy can be achieved through bioprivileged molecules that can be leveraged to produce a diversity of products, including both replacement molecules and novel molecules with enhanced performance properties. However, important challenges arise in the development of bioprivileged molecules. This review discusses the integration of biological and chemical processes and its use in the development of bioprivileged molecules, with a further focus on key hurdles that must be overcome for successful implementation.