Article
Engineering, Chemical
Yechan Lee, Chong Yang Chuah, Jaewon Lee, Tae-Hyun Bae
Summary: A series of porous organic polymers with various functional groups were synthesized and incorporated into a polyimide to fabricate mixed-matrix membranes for CO2/N-2 separation. The functionalized porous fillers improved the separation performance of CO2 significantly, and optimizing both functionality and pore structure further enhanced the separation performance.
JOURNAL OF MEMBRANE SCIENCE
(2022)
Article
Mathematics, Applied
Zexi Song, Zhiqiang Tan
Summary: This study investigates a class of irreversible sampling algorithms called Hamiltonian assisted Metropolis sampling (HAMS), which utilizes numerical methods for Langevin dynamics. The results show that HAMS algorithm consistently outperforms other algorithms in sampling high-dimensional latent variables.
SIAM JOURNAL ON SCIENTIFIC COMPUTING
(2022)
Article
Statistics & Probability
Zexi Song, Zhiqiang Tan
Summary: This paper studies various Markov chain Monte Carlo (MCMC) methods to improve random walk Metropolis sampling and proposes Hamiltonian-assisted Metropolis sampling (HAMS) algorithms. The experiments demonstrate that the proposed algorithms consistently yield superior results using the same preconditioning schemes.
JOURNAL OF THE AMERICAN STATISTICAL ASSOCIATION
(2023)
Article
Computer Science, Artificial Intelligence
Vyacheslav Kungurtsev, Adam Cobb, Tara Javidi, Brian Jalaian
Summary: With the widespread use of embedded software on autonomous devices, federated learning performed by decentralized networks of agents is becoming increasingly important. Bayesian approaches benefit from offering more uncertainty information, and Langevin and Hamiltonian methods are effective for sampling from uncertain distributions. We present the first approach to incorporating constant stepsize Metropolis-adjusted HMC in the decentralized sampling framework and demonstrate its effectiveness numerically on standard real-world problems, including decentralized learning of non-convex neural networks.
Article
Chemistry, Multidisciplinary
Guangying Liu, Ran Guo, Kuiyu Zhao, Runjie Wang
Summary: This paper investigates the variation law of the mechanical properties of porous materials using the SBFEM method and Monte Carlo simulation, and provides fitting formulas, which are of significant importance for estimating the mechanical properties of porous materials.
APPLIED SCIENCES-BASEL
(2022)
Article
Engineering, Chemical
Marcello Pagliero, Antonio Comite, Omar Soda, Camilla Costa
Summary: This study investigates the use of photoactive mixed matrix membranes for direct solar membrane distillation. The addition of carbon-based fillers is found to improve the membrane performance, resulting in significant enhancements in the distillation flux under light irradiation.
JOURNAL OF MEMBRANE SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Julius Dicke, Lukas Rammelmueller, Fabian Grusdt, Lode Pollet
Summary: We investigate the phase diagram of two different mixed-dimensional t-Jz-J1 models on the square lattice, with hopping amplitude t only nonzero along the x direction. In the first bosonic model, the spin-exchange amplitude J1 is negative and isotropic along the x and y directions, with isotropic and positive Jz. The low-energy physics is characterized by spin-charge separation. In the second model, J1 is restricted to the x axis while Jz remains isotropic and positive. The model exhibits stripe patterns with antiferromagnetic Neel order at low temperature and high hole densities.
Review
Polymer Science
Riccardo Narducci, Emanuela Sgreccia, Philippe Knauth, Maria Luisa Di Vona
Summary: Hydroxide exchange membrane fuel cells (AEMFC) are clean energy conversion devices that present an attractive alternative to proton exchange membrane fuel cells (PEMFCs) due to their advantages of not using noble metals like platinum and their increasing interest in recent years. However, the low durability of anion exchange membranes (AEM) in basic conditions limits their large-scale use. Composite AEM with different fillers, such as carbon nanotubes, graphene, and silica nanoparticles, have been used to enhance fuel cell performance and stability, with filler functionalization being a key factor in successful property improvement. Recent progress in mechanical properties, ionic conductivity, and fuel cell performances of composite AEM is critically reviewed.
Article
Computer Science, Artificial Intelligence
Stephen Whitelam, Viktor Selin, Ian Benlolo, Corneel Casert, Isaac Tamblyn
Summary: The zero-temperature Metropolis Monte Carlo (MC) algorithm is examined as a tool for training neural networks. It can effectively train neural networks with comparable accuracy to gradient descent (GD), although not necessarily as quickly. The adaptive Monte Carlo algorithm (aMC) is introduced to overcome limitations when the network structure or neuron activations are strongly heterogeneous. The MC method allows training of deep neural networks and recurrent neural networks that cannot be trained by GD due to insignificant or excessive gradients. MC methods offer a complementary approach to gradient-based methods for training neural networks, providing access to different network architectures and principles.
MACHINE LEARNING-SCIENCE AND TECHNOLOGY
(2022)
Article
Materials Science, Multidisciplinary
John A. Mitchell, Fadi Abdeljawad, Corbett Battaile, Cristina Garcia-Cardona, Elizabeth A. Holm, Eric R. Homer, Jon Madison, Theron M. Rodgers, Aidan P. Thompson, Veena Tikare, Ed Webb, Steven J. Plimpton
Summary: SPPARKS is an open-source simulation code that allows the development and running of various Monte Carlo models at the atomic or meso scales. It can be used to study solid-state materials and their dynamic evolution during processing. The code's modular nature allows the addition of new models and diagnostic computations without modifying its core functionality. It includes models for microstructural evolution, diffusion, thin film deposition, additive manufacturing, and can also implement grid-based algorithms.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
(2023)
Article
Mathematics
Samuel Livingstone
Summary: This study investigates the impact of proposal distributions on the ergodicity of the Metropolis-Hastings method, showing that suitable choices can alter the ergodic properties of the algorithm. It is found that allowing the proposal variance to grow unboundedly in the tails of heavy-tailed distributions can establish geometric ergodicity, but the growth rate needs to be carefully controlled to avoid high rejection rates. Furthermore, a judicious choice of proposal distribution can lead to geometric ergodicity in scenarios where probability concentrates on narrower tails, which is not the case for the Random Walk Metropolis.
Article
Engineering, Chemical
Panagiotis Krokidas, Marcelle B. M. Spera, Lamprini G. Boutsika, Ioannis Bratsos, Georgia Charalambopoulou, Ioannis G. Economou, Theodore Steriotis
Summary: In this study, the researchers demonstrated how molecular-scale modifications of zeolitic-imidazolate frameworks (ZIFs) can greatly improve the CO2/CH4 separation performance of mixed-matrix membranes (MMMs) when used as additives. Through molecular simulations and experiments, they identified modified ZIF fillers that exhibit unprecedented CO2/CH4 separation performance, surpassing any reported MMM. This work highlights the effectiveness of ZIF nanoengineering in developing highly selective CO2 membranes.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Computer Science, Theory & Methods
Xiaodong Yang, Jun S. Liu
Summary: The multiple-try Metropolis method is an extension of the classical Metropolis-Hastings algorithm, but lacks theoretical understanding about usefulness and convergence behavior. We derive the exact convergence rate for the multiple-try Metropolis Independent sampler (MTM-IS) through explicit eigen analysis. We prove that a naive application of MTM-IS is less efficient than using the simpler approach of thinned independent Metropolis-Hastings method at the same computational cost and explore more variants.
STATISTICS AND COMPUTING
(2023)
Article
Computer Science, Information Systems
Alfredo Nespoli, Emanuele Ogliari, Sonia Leva
Summary: The increasing adoption of electric vehicles presents challenges for the electrical distribution network. Accurate forecasting of electric vehicle charging sessions is crucial for predictive energy management systems that improve grid operation. This paper proposes a comprehensive methodology that clusters historical charging sessions based on user characteristics and predicts each session using arrival time, duration, and expected power parameters. The method is evaluated using a real case study, showing significant improvements in energy accuracy and predicted charging sessions compared to a benchmark. The overall Skill Score for 2019 is 0.37.
Article
Optics
Ruoyu Chen, Shanbao Tong, Peng Miao
Summary: This study proposes a deep-learning-based strategy for high spatiotemporal resolution three-dimensional (3D) reconstruction from a single transilluminated laser speckle contrast image, providing more structural and functional details without multifocus two-dimensional (2D) imaging or 3D optical imaging with point/line scanning. The method utilizes convolution of vessel masks with depth-dependent point spread functions (PSF) to generate a large training dataset, and employs UNet and ResNet for deblurring and depth estimation. The blood flow in the reconstructed 3D vessels is estimated by a depth-dependent contrast model. The proposed method achieves high-fidelity structural reconstruction with a depth-independent estimation of blood flow, and is suitable for real-time monitoring of thick tissue and the diagnosis of vascular diseases.
Article
Chemistry, Physical
Ali Sohani, Mona Zamani Pedram, Siamak Hoseinzadeh
JOURNAL OF MOLECULAR LIQUIDS
(2020)
Article
Chemistry, Applied
Mansour Shahidzadeh, Zahra Khansari Varkaneh, Bahram Ramezanzadeh, Mona Zamani Pedram, Masoud Yarmohammadi
PROGRESS IN ORGANIC COATINGS
(2020)
Article
Chemistry, Multidisciplinary
Atefeh Nadeali, Saeed Kalantari, Masoud Yarmohammadi, Mohammadreza Omidkhah, Abtin Ebadi Amooghin, Mona Zamani Pedram
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2020)
Article
Chemistry, Multidisciplinary
Samaneh Mashhadikhan, Abtin Ebadi Amooghin, Abdolreza Moghadassi, Hamidreza Sanaeepur
Summary: Modifying zeolite 13X particles with aminosilane and embedding them into the PI membrane improves the CO2/N-2 separation performance of MMMs, showing enhanced permeability and selectivity. Aminosilane modification also enhances the thermomechanical properties of MMMs.
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
(2021)
Article
Energy & Fuels
Shadi Miri, Mohammadreza Omidkhah, Abtin Ebadi Amooghin, Takeshi Matsuura
JOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING
(2020)
Article
Engineering, Chemical
Samaneh Bandehali, Hamidreza Sanaeepur, Abtin Ebadi Amooghin, Saeed Shirazian, Seeram Ramakrishna
Summary: This review emphasizes the importance of utilizing bio-based and petroleum-based biodegradable polymers in developing modern membrane separation technology, including different synthesis, preparation methods, and modifications. State-of-the-art membranes are prepared through various strategies such as blending, copolymerization, cross-linking, and composites with nanoparticles for advanced performance.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Energy & Fuels
Kimiya Nematolahi, Ehsan Salehi, Abtin Ebadi Amooghin, Hamidreza Sanaeepur
Summary: In this study, Ultem and NaX zeolite were used to fabricate mixed matrix membranes for CO2 separation. The optimized MMM exhibited a CO2/N-2 selectivity of 34 and a 45% increase in CO2 permeability compared to the pristine membrane. These improvements were attributed to the surface diffusion mechanism of zeolite X and the reversible reaction between Ni2+ ions and CO2 molecules.
GREENHOUSE GASES-SCIENCE AND TECHNOLOGY
(2022)
Review
Engineering, Chemical
Hamidreza Sanaeepur, Abtin Ebadi Amooghin, Mohammad Mahdi A. Shirazi, Mahboubeh Pishnamazi, Saeed Shirazian
Summary: Water supply requirements in this century are a significant challenge facing humanity, and membrane technology, specifically electrospun polymer nanofibers, are being developed as promising engineered materials for water treatment due to their high porosity, permeate flux, selectivity, and stability. Mixed matrix electrospun nanofibrous membranes (mixed matrix ENMs) have gained attention for water desalination and ion removal due to their designed pore size, surface chemistry, hydrophobicity/hydrophilicity, porosity control, increased flux, and rejection efficiency. This review provides insights for using mixed matrix ENMs for desalination and emphasizes sustainable development for future research.
Review
Chemistry, Multidisciplinary
Farzad Seidi, Ahmad Arabi Shamsabadi, Abtin Ebadi Amooghin, Mohammad Reza Saeb, Huining Xiao, Yongcan Jin, Mashallah Rezakazemi
Summary: This review examines the use of natural polysaccharides and their derivatives in the fabrication of CO2 separation membranes, highlighting their functionalization effects on separation performance.
ENVIRONMENTAL CHEMISTRY LETTERS
(2022)
Article
Polymer Science
Reyhane Ahmadi, Reyhane Sedighian, Hamidreza Sanaeepur, Abtin Ebadi Amooghin, Shima Lak
Summary: In this study, porous mixed matrix membranes (MMMs) were prepared by incorporating zinc ion-exchanged zeolite Y (ZnY) into a polyphenylsulfone (PPSU) polymer matrix. The membranes with different ZnY contents were characterized for their morphology, chemical structure, and thermomechanical properties. The results showed that the addition of ZnY nanoparticles improved the water flux, surface roughness, and separation performance of the membranes.
JOURNAL OF APPLIED POLYMER SCIENCE
(2022)
Article
Engineering, Chemical
Samaneh Bandehali, Abtin Ebadi Amooghin, Hamidreza Sanaeepur, Reyhane Ahmadi, Alessio Fuoco, Johannes Carolus Jansen, Saeed Shirazian
Summary: In recent decades, novel polymeric materials have been explored for the preparation of highly energy-efficient gas separation membranes, with efforts to overcome the trade-off relationship between gas permeability and selectivity. Challenges remain in achieving stable permeability and selectivity of PIMs and TR polymers for membrane gas separation, with difficulties in optimal temperature identification for TR polymers and preparation of thin-film TR membranes.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Review
Engineering, Chemical
Ali Taghvaie Nakhjiri, Hamidreza Sanaeepur, Abtin Ebadi Amooghin, Mohammad Mahdi A. Shirazi
Summary: This review paper aims to provide an overview of the latest breakthroughs in the recovery of PMs from wastewater, including their industrial applications, recovery processes, and sustainable utilization methods and prospects.
Review
Engineering, Chemical
Samaneh Mashhadikhan, Abtin Ebadi Amooghin, Hamidreza Sanaeepur, Mohammad Mahdi A. Shirazi
Summary: Due to population growth, industrial development, and limited freshwater reserves, Cd recovery from saline wastewater has become increasingly important. Cd is a harmful metal that negatively affects the human body and aquatic ecosystems. Therefore, researching methods for Cd removal and recovery from saline wastewater is crucial.
Article
Green & Sustainable Science & Technology
Samaneh Mashhadikhan, Reyhane Ahmadi, Abtin Ebadi Amooghin, Hamidreza Sanaeepur, Tejraj M. Aminabhavi, Mashallah Rezakazemi
Summary: This review paper explores the chemistry and applications of high-temperature polymers used as membranes for wastewater treatment and water recycling. It emphasizes the importance of thermally stable polymer membranes in purifying wastewater at elevated temperatures and summarizes recent advances in membrane fabrication techniques.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS
(2024)
Review
Chemistry, Multidisciplinary
Abtin Ebadi Amooghin, Hamidreza Sanaeepur, Rafael Luque, Hermenegildo Garcia, Banglin Chen
Summary: This article focuses on the application of fluorinated metal-organic frameworks (F-MOFs) in gas separation. By precisely designing and synthesizing new F-MOFs structures, specific gas separation purposes can be achieved. The basic principles, structure-performance relationships, and applications in adsorption and membrane gas separation are discussed. The importance of F-MOFs in gas separation and future challenges are highlighted.
CHEMICAL SOCIETY REVIEWS
(2022)
