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Our paper titled “Maximizing methane and hydrogen delivery capacity by carbon and boron nitride nanoscrolls” has been published online in the journal “International Journal of Hydrogen Energy”, accessible at https://doi.org/10.1016/j.ijhydene.2024.11.138 This study explored the CH4 and H2 storage potential of carbon and boron nitride (BN) nanoscrolls, aiming to optimize their structure to align with DOE targets.…

Ms. Ref. No.:  HE-D-24-09795R1Title: Maximizing Methane and Hydrogen Delivery Capacity by Carbon and Boron Nitride NanoscrollsInternational Journal of Hydrogen Energy Dear Dr. Peng, I am pleased to inform you that your paper “Maximizing Methane and Hydrogen Delivery Capacity by Carbon and Boron Nitride Nanoscrolls” has been accepted for publication in the International Journal of Hydrogen…

Our paper titled “Improving Gas Separation Performance by Boron Nitride Nanotubes” has been published online in the journal “Materials Today Communications”, accessible at https://doi.org/10.1016/j.mtcomm.2024.110761 A systematic comparison of boron nitride nanotubes (BNNTs) and carbon nanotubes (CNTs) in gas separation systems was conducted using molecular simulations. Results at 298 K and 2 MPa show BNNTs consistently outperform…

Dear Dr. Peng,   Thank you for submitting your manuscript to Materials Today Communications. I am pleased to inform you that your manuscript has been accepted for publication.  My comments, and any reviewer comments, are below.   Your accepted manuscript will now be transferred to our production department. We will create a proof which you will be…

Our paper titled “Boron nitride graphite intercalated with carbon-boron-nitride fullerenes for enhanced hydrogen storage” has been published online in the journal “Chemical Physics Letters”, accessible at https://doi.org/10.1016/j.cplett.2024.141673 The study explored the capacity of boron nitride-graphite intercalated with carbon-boron-nitride fullerenes for hydrogen storage, utilizing density functional theory and Grand Canonical Monte Carlo simulations. Under conditions of 77…

Ms. No.: CPLETT-24-1343R2Title: Boron Nitride Graphite Intercalated with Carbon-Boron-Nitride Fullerenes for Enhanced Hydrogen StorageCorresponding Author: Dr. Xuan PengAuthors: Dear Dr. Peng, I am pleased to confirm that your paper Boron Nitride Graphite Intercalated with Carbon-Boron-Nitride Fullerenes for Enhanced Hydrogen Storage has been accepted for publication in Chemical Physics Letters Comments to Authors: Your accepted paper is…

Our paper titled “Utilizing molecular simulation, ideal adsorbed solution theory and ensemble learning algorithms to investigate adsorption and separation of sulfides on amorphous nanoporous materials” has been published online in the journal “Next Materials”, accessible at https://doi.org/10.1016/j.nxmate.2024.100378 Using grand canonical Monte Carlo simulations, we studied the adsorption of pure H2S and SO2 gases on amorphous materials…

Manuscript Number: NXMATE-D-23-00690R3Utilizing Molecular Simulation, Ideal Adsorbed Solution Theory and Ensemble Learning Algorithms to Investigate Adsorption and Separation of Sulfides on Amorphous Nanoporous Materials  Dear Dr. Peng, Thank you for submitting your manuscript to Next Materials. I am pleased to inform you that your manuscript has been accepted for publication. Congratulations on the excellent work; we…

Our paper titled “Critical temperature-dependent adsorption selectivity of binary gas mixtures in slit pores: Insights from Gibbs ensemble Monte Carlo simulations” has been published online in the journal “Next Energy”, accessible at https://doi.org/10.1016/j.nxener.2024.100188 Our Gibbs ensemble Monte Carlo simulations investigated the adsorption separation of three binary gas mixtures in slit pores: CH4/CO, C2F6/N2, and SO2/CO2. CH4/CO…

Our paper titled “Can carbon and boron nitride nanoscrolls be good methane storage materials?” has been published online in the journal “Adsorption”, accessible at https://doi.org/10.1007/s10450-024-00539-7 Molecular simulations were conducted to assess methane adsorption on carbon and BN nanoscrolls, focusing on factors like radius, pressure, and temperature. Contrary to expectations, adding layers to BN nanoscrolls decreased methane…

Ref: Submission ID e83d829c-2ffa-41f5-86cb-1c59da2263cc Dear Dr Peng, Re: “Can Carbon and Boron Nitride Nanoscrolls be Good Methane Storage Materials?” We’re delighted to let you know that your manuscript has been accepted for publication in Adsorption. Prior to publication, our production team will check the format of your manuscript to ensure that it conforms to the…

Manuscript Number: NXENER-D-24-00221R3Critical Temperature-Dependent Adsorption Selectivity of Binary Gas Mixtures in Slit Pores: Insights from Gibbs Ensemble Monte Carlo Simulations  Dear Dr. Peng,  Thank you for submitting your manuscript to Next Energy. I am pleased to inform you that your manuscript has been accepted for publication. Congratulations on the excellent work; we are delighted to be able…

Our paper titled “Nanotube-Mediated Storage of Methane and Hydrogen: Insights from Molecular Simulation” has been published online in the journal “Journal of Environmental Chemical Engineering”, accessible at https://doi.org/10.1016/j.jece.2024.113592 Using the Grand Canonical Monte Carlo (GCMC) algorithm, our study investigated CH4 and H2 storage in carbon, BN, and MoS2 nanotubes. BN nanotubes showed superior CH4 adsorption at…

Ms. Ref. No.: JECE-D-24-06117R1Title: Nanotube-Mediated Storage of Methane and Hydrogen: Insights from Molecular SimulationJournal of Environmental Chemical Engineering Dear Dr. Peng, I am pleased to inform you that your manuscript “Nanotube-Mediated Storage of Methane and Hydrogen: Insights from Molecular Simulation” has been accepted for publication in Journal of Environmental Chemical Engineering. Below are comments from the…

Our paper titled “Uncovering optimal carbon and boron nitride nanotube geometries for methane and hydrogen release” has been published online in the journal “International Journal of Hydrogen Energy”, accessible at https://doi.org/10.1016/j.ijhydene.2024.07.025 Through GCMC simulations of 1651 carbon and BN nanotubes, we explored CH4 and H2 release at 298 K and 77 K, revealing that while specific…

Ms. Ref. No.:  HE-D-24-05400R1Title: Uncovering Optimal Carbon and Boron Nitride Nanotube Geometries for Methane and Hydrogen ReleaseInternational Journal of Hydrogen Energy Dear Dr. Peng, I am pleased to inform you that your paper “Uncovering Optimal Carbon and Boron Nitride Nanotube Geometries for Methane and Hydrogen Release” has been accepted for publication in the International Journal…

Our paper titled “Identifying optimal amorphous materials for fluoride removal through Monte Carlo and neural network modeling” has been published online in the journal “Adsorption”, accessible at https://doi.org/10.1007/s10450-024-00496-1 To mitigate CF4’s greenhouse impact in microelectronics, we used Monte Carlo simulations and neural networks to screen over 100 amorphous materials for N2/CF4 gas adsorption. Materials with densities…

Our paper titled “Machine Learning Based Screening of Organic Frameworks for Separation of CF4/N2, C2F6/N2, and SF6/N2” has been published online in the journal “Chemical Engineering Science”, accessible at https://doi.org/10.1016/j.ces.2024.120280. Using molecular simulations and machine learning, we developed regression models for high-throughput screening of organic frameworks for CF4/N2, C2F6/N2, and SF6/N2 separation. The Grand Canonical Ensemble…

Manuscript No.: CES-D-24-00939R1Title: Machine Learning Based Screening of Organic Frameworks for Separation of CF4/N2, C2F6/N2, and SF6/N2Corresponding authorXuan PengFirst authorXuan PengReceived at Editorial Office7 Mar 2024Article revised13 May 2024Article accepted for publication20 May 2024 Dear Dr. Peng, I am pleased to confirm that your paper Machine Learning Based Screening of Organic Frameworks for Separation of…

Ref: Submission ID d3e14143-4fa0-4e41-9d0d-135f80255f65 Dear Dr Peng, Re: “Identifying Optimal Amorphous Materials for Fluoride Removal through Monte Carlo and Neural Network Modeling” We’re delighted to let you know that your manuscript has been accepted for publication in Adsorption. Prior to publication, our production team will check the format of your manuscript to ensure that it…

Our paper titled “Molecular simulation of adsorption and separation of N2 and CF4 on carbon and boron nitride nanostructures” has been published online in the journal “Separation and Purification Technology”, accessible at https://doi.org/10.1016/j.seppur.2024.127943. In this study, we performed GCMC simulations to compare CF4 adsorption on various nanostructures: (15,15) BN nanotubes outperform carbon nanotubes with 50% higher adsorption. BN…

Manuscript Number: SEPPUR-D-24-04975R1   Molecular Simulation of Adsorption and Separation of N2 and CF4 on Carbon and Boron Nitride Nanostructures   Dear Dr. Peng, Thank you for submitting your manuscript to Separation and Purification Technology. I am pleased to inform you that your manuscript has been accepted for publication.   My comments, and any reviewer comments, are…

Our paper titled “Significance of Fluid Properties, Pore Structure, and Surface Chemistry in CMK Series Mesoporous Carbon Materials for N2/CH4/CO2 Separation” has been published online in the journal “Microporous and Mesoporous Materials”, accessible at https://doi.org/10.1016/j.micromeso.2024.113095 In this work, we combined macroscopic methods (IAST, 2D-EOS) and molecular simulations to study N2, CH4, and CO2 adsorption in…

Ms. Ref. No.: MICMAT-D-24-00052R1 Title: Significance of Fluid Properties, Pore Structure, and Surface Chemistry in CMK Series Mesoporous Carbon Materials for N2/CH4/CO2 SeparationMicroporous and Mesoporous Materials Dear Dr. Peng, I am pleased to confirm that your paper “Significance of Fluid Properties, Pore Structure, and Surface Chemistry in CMK Series Mesoporous Carbon Materials for N2/CH4/CO2 Separation” has…

Our paper titled “Impact of realistic vs. Slit models of activated carbon on H2 and H2S Adsorption, and H2/CO2, CH4/H2S separation” has been published online in the journal “Separation and Purification Technology”, accessible at https://doi.org/10.1016/j.seppur.2024.126538. This study compares H2-CO2 and CH4-H2S adsorption in slit pore models and realistic atomic models, revealing the limitations of simplistic…

Manuscript Number: SEPPUR-D-23-11107R1   Impact of Realistic vs. Slit Models of Activated Carbon on H2 and H2S Adsorption, and H2/CO2, CH4/H2S Separation   Dear Dr. Peng, Thank you for submitting your manuscript to Separation and Purification Technology. I am pleased to inform you that your manuscript has been accepted for publication.   My comments, and…

The Nanoworld Discovery Studio is now officially operational. We plan to enroll 1-4 high school students interested in nanotechnology, computer simulation, and research exploration. Considering that high school students attend classes on weekdays, the studio’s training is primarily conducted on weekends. Interested individuals are welcome to contact Dr. Peng via email.