PredScale: A User-Friendly Software for Predicting Mineral Saturation States in Aqueous Systems

PredScale: A User-Friendly Software for Predicting Mineral Saturation States in Aqueous Systems | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Research Article PredScale: A User-Friendly Software for Predicting Mineral Saturation States in Aqueous Systems Amthal Al-Gailani, M. Hasan Shariq, Ghufran Zidane, Martin J. Taylor This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-7571848/v1 This work is licensed under a CC BY 4.0 License Status: Posted Version 1 posted You are reading this latest preprint version Abstract We present PredScale, a zero-cost, user-friendly tool for predicting the saturation state of key scale minerals in aqueous systems. Designed for researchers with limited expertise in brine chemistry, PredScale predicts the solution saturation as a function of time and temperature during mineral scaling experiments. It employs the Davies equation to calculate activity coefficients and features three core functions: (1) Solution Preparation for calculating the required salt mass to prepare brine solutions, (2) Basic Calculator for predicting the saturation state at a single condition, and (3) Experiment Mode for estimating the saturation index over time and temperature. The model also accounts for aqueous complexation, improving saturation index accuracy. Validation against experimental data and field observations demonstrated good agreement, verifying its reliability. Mineral scaling Water chemistry Saturation index Scale prediction Computer software Full Text Additional Declarations No competing interests reported. Cite Share Download PDF Status: Posted Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-7571848","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":512387088,"identity":"6de95e5c-2e08-486f-bda3-56301ed09bc2","order_by":0,"name":"Amthal Al-Gailani","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAABCElEQVRIie3RsUoDMRzH8V8I1CVy60nVvsK/OLboqyQUHOXAxaFDSkEXsesVQV9B3yASaDf7ALdYXB0EF8FK+09WSXV0yHcKXD787jggl/uHtVC8QFfoQEoLUF9jJxy4MkEKQOOd0LVSBHKqEQ9byJ6FFjWxQ7zpfyfk4KRiUlyJ0UdVLc7IM/kcwkxtiggbSenFuF1Tcx6IuJ7B3CZXJJisB5ZvthU15iGs7FqYuwQ5cS3IFcHc88qXoudIxPcWQk6FFYSbl7ziIpFhJfliXsEz6T4y6SkamCkTvz8rj5KfP58sX9UFOocL7xu1OjY38/HT8m3YP6hdYkYCPx+59F/J5XK53F/aABYzWXOO3h7gAAAAAElFTkSuQmCC","orcid":"","institution":"University of Hull","correspondingAuthor":true,"prefix":"","firstName":"Amthal","middleName":"","lastName":"Al-Gailani","suffix":""},{"id":512387089,"identity":"3dc883bf-caf8-428b-b1be-38819c28f165","order_by":1,"name":"M. Hasan Shariq","email":"","orcid":"","institution":"University of Hull","correspondingAuthor":false,"prefix":"","firstName":"M.","middleName":"Hasan","lastName":"Shariq","suffix":""},{"id":512387090,"identity":"61509db3-d60e-41e6-9c7b-7ded8433e4a2","order_by":2,"name":"Ghufran Zidane","email":"","orcid":"","institution":"University of Diyala","correspondingAuthor":false,"prefix":"","firstName":"Ghufran","middleName":"","lastName":"Zidane","suffix":""},{"id":512387091,"identity":"d9a8419c-3c6b-4ea7-b707-daddf91b8517","order_by":3,"name":"Martin J. Taylor","email":"","orcid":"","institution":"University of Hull","correspondingAuthor":false,"prefix":"","firstName":"Martin","middleName":"J.","lastName":"Taylor","suffix":""}],"badges":[],"createdAt":"2025-09-09 09:08:24","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-7571848/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-7571848/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":96707970,"identity":"03fc9ac2-41b8-421e-af07-5b6f93dd02ce","added_by":"auto","created_at":"2025-11-25 09:39:22","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":1030277,"visible":true,"origin":"","legend":"","description":"","filename":"AAlGailaniManuscript.pdf","url":"https://assets-eu.researchsquare.com/files/rs-7571848/v1_covered_0db2612a-a7f5-463b-900f-c6713355ddab.pdf"}],"financialInterests":"No competing interests reported.","formattedTitle":"PredScale: A User-Friendly Software for Predicting Mineral Saturation States in Aqueous Systems","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":true,"hideJournal":true,"highlight":"","institution":"","isAcceptedByJournal":false,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":true,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true},"keywords":"Mineral scaling, Water chemistry, Saturation index, Scale prediction, Computer software","lastPublishedDoi":"10.21203/rs.3.rs-7571848/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-7571848/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eWe present PredScale, a zero-cost, user-friendly tool for predicting the saturation state of key scale minerals in aqueous systems. Designed for researchers with limited expertise in brine chemistry, PredScale predicts the solution saturation as a function of time and temperature during mineral scaling experiments. It employs the Davies equation to calculate activity coefficients and features three core functions: \u003cb\u003e(1) Solution Preparation\u003c/b\u003e for calculating the required salt mass to prepare brine solutions, \u003cb\u003e(2) Basic Calculator\u003c/b\u003e for predicting the saturation state at a single condition, and \u003cb\u003e(3) Experiment Mode\u003c/b\u003e for estimating the saturation index over time and temperature. The model also accounts for aqueous complexation, improving saturation index accuracy. Validation against experimental data and field observations demonstrated good agreement, verifying its reliability.\u003c/p\u003e","manuscriptTitle":"PredScale: A User-Friendly Software for Predicting Mineral Saturation States in Aqueous Systems","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-09-10 04:29:32","doi":"10.21203/rs.3.rs-7571848/v1","editorialEvents":[{"type":"communityComments","content":0}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true}}],"origin":"","ownerIdentity":"661a0448-536d-4980-bfab-d1820e89de25","owner":[],"postedDate":"September 10th, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[],"tags":[],"updatedAt":"2025-11-25T09:38:28+00:00","versionOfRecord":[],"versionCreatedAt":"2025-09-10 04:29:32","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-7571848","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-7571848","identity":"rs-7571848","version":["v1"]},"buildId":"8U1c8b4HqxoKbykW_rLl7","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}